Details of the Drug

General Information of Drug (ID: DMYL3ST)

Drug Name

3-bromopyruvate

Synonyms

bromopyruvate; 3-bromo-2-oxopropanoate; AC1ODWIN; 3-bromo-2-oxo-propionate; GTPL4517; CHEBI:131592; PRRZDZJYSJLDBS-UHFFFAOYSA-M

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

165.95

Logarithm of the Partition Coefficient (xlogp)

1.1

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

Chemical Identifiers

Formula: C3H2BrO3-
IUPAC Name: 3-bromo-2-oxopropanoate
Canonical SMILES: C(C(=O)C(=O)[O-])Br
InChI: InChI=1S/C3H3BrO3/c4-1-2(5)3(6)7/h1H2,(H,6,7)/p-1
InChIKey: PRRZDZJYSJLDBS-UHFFFAOYSA-M

Cross-matching ID

PubChem CID: 6994776
ChEBI ID: CHEBI:131592
CAS Number: 68-38-2
UNII: 63JMV04GRK
DrugBank ID: DB17135
TTD ID: D08MOJ

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Mycobacterium Isocitrate lyase (MycB icl)	TT58ZYW	ACEA_MYCTU	Inhibitor	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

Experimental Cancer Drug Sensitivity Information

Cancer Drug Sensitivity Data Curated from 1 Cell Line(s) in Bone Tissue

Cell Line	Original Dataset	IC50	IC90	EC50	AUC
U2OS	CTRP1	11.0786	13.946	8.0224	3.5777
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Cancer Drug Sensitivity Data Curated from 1 Cell Line(s) in Breast Tissue

Cell Line	Original Dataset	IC50	IC90	EC50	AUC
MCF-7	CTRP1	10.1721	14.7766	7.0663	13.2259
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Cancer Drug Sensitivity Data Curated from 3 Cell Line(s) in Central Nervous System Tissue

Cell Line	Original Dataset	IC50	IC90	EC50	AUC
GaMG	CTRP1	7.1546	8.5227	4.7643	0.3748
SF295	CTRP1	7.3083	8.4605	4.8412	0.1328
LN-229	CTRP1	10.802	13.9817	7.8537	5.3723
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Cancer Drug Sensitivity Data Curated from 10 Cell Line(s) in Endometrium Tissue

Cell Line	Original Dataset	IC50	IC90	EC50	AUC
HEC-265	CTRP1	6.5012	8.1097	4.6419	1.6181
HEC-6	CTRP1	6.6082	7.9508	4.7557	0.8248
HEC-108	CTRP1	7.1427	8.5684	4.7434	0.4498
HEC-251	CTRP1	7.1537	8.4592	4.7864	0.3093
HEC-59	CTRP1	7.3736	8.5163	4.8449	0.1125
MFE-319	CTRP1	7.6071	12.484	3.3229	8.6555
KLE	CTRP1	7.7303	9.4832	4.6397	0.4635
HEC-151	CTRP1	9.1396	11.2058	8.0519	8.7409
JHUEM-2	CTRP1	11.7092	20.0325	5.5928	17.7467
Ishikawa (Heraklio) 02 ER-	CTRP1	7.0652	9.1675	4.4798	1.7961
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⏷ Show the Full List of 10 Cancer Drug Sensitivity Data of This Drug

Cancer Drug Sensitivity Data Curated from 24 Cell Line(s) in Haematopoietic And Lymphoid Tissue Tissue

Cell Line	Original Dataset	IC50	IC90	EC50	AUC
BL-70	CTRP1	6.038	7.2384	4.7739	1.5159
MC116	CTRP1	6.4356	7.4364	4.8785	0.4176
KE-97	CTRP1	6.6616	8.3098	4.6372	1.4139
HT	CTRP1	7.3442	8.2662	4.9173	0.0361
P3HR-1	CTRP1	7.5247	8.9432	4.7531	0.2467
Ku812	CTRP1	7.821	9.3956	4.7034	0.2586
NU-DUL-1	CTRP1	8.7773	38.2504	-5.7722	44.0635
SU-DHL-5	CTRP1	9.0759	10.2212	8.4918	5.0411
WSU-DLCL2	CTRP1	9.182	10.365	8.5054	4.5016
OCI-AML-3	CTRP1	9.4056	12.6471	7.5449	12.1321
PL21	CTRP1	9.4188	11.99	7.8814	9.1829
KMS-11	CTRP1	9.4926	14.2804	6.8002	17.6225
GDM-1	CTRP1	9.5572	11.6926	8.1307	6.5095
U-937	CTRP1	9.7747	13.0552	7.6214	10.1567
EJM	CTRP1	10.0673	13.4444	7.639	9.0579
RPMI-8226	CTRP1	10.2089	15.1157	6.9272	14.1261
SKM-1	CTRP1	10.2154	11.7225	8.5227	1.6652
SU-DHL-4	CTRP1	10.3891	17.7573	5.7623	20.8033
LP-1	CTRP1	10.3956	12.1051	8.4528	1.8336
MOLM-16	CTRP1	10.4222	12.1332	8.4543	1.7813
AMO1	CTRP1	10.6449	11.9605	8.623	0.5846
NOMO-1	CTRP1	10.6724	12.1227	8.5733	0.7846
THP-1	CTRP1	11.7149	20.385	5.4273	18.5568
OCI-Ly10	CTRP1	11.7206	20.8552	5.2047	19.6005
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⏷ Show the Full List of 24 Cancer Drug Sensitivity Data of This Drug

Cancer Drug Sensitivity Data Curated from 2 Cell Line(s) in Kidney Tissue

Cell Line	Original Dataset	IC50	IC90	EC50	AUC
VMRC-RCW	CTRP1	6.9975	8.7527	4.6142	1.1318
RCC10RGB	CTRP1	11.4257	18.9014	5.9431	16.6641
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Cancer Drug Sensitivity Data Curated from 37 Cell Line(s) in Large Intestine Tissue

Cell Line	Original Dataset	IC50	IC90	EC50	AUC
COLO205	CTRP1	6.8474	8.9436	4.4661	2.2027
DLD-1	CTRP1	6.8778	7.7967	4.9157	0.1073
SW48	CTRP1	6.9784	10.114	4.0273	5.0358
LS411N	CTRP1	7.0834	9.7655	4.2384	3.32
SK-CO-1	CTRP1	7.0973	8.9875	4.5665	1.2703
LS513	CTRP1	7.3065	8.5681	4.8041	0.2056
GP2d	CTRP1	7.4694	8.9576	4.7281	0.3308
SW403	CTRP1	7.9031	11.1637	4.0647	3.1028
C2BBe1	CTRP1	8.1038	9.9976	4.5972	0.4122
SNU-C2A	CTRP1	8.1191	10.2781	4.5033	0.6928
LS180	CTRP1	9.7079	11.837	8.1664	5.7163
SNU-81	CTRP1	9.7489	11.5572	8.3273	4.2239
CL-40	CTRP1	9.854	11.7746	8.2926	4.2241
SW620	CTRP1	9.8895	12.2721	8.0806	5.9025
COLO 678	CTRP1	9.9309	14.3978	7.0767	13.967
SW948	CTRP1	9.9414	11.6712	8.3944	3.1724
KM12	CTRP1	10.0524	12.7315	7.9699	6.3597
HCT 116	CTRP1	10.1019	12.1524	8.2707	3.7698
SNU-C5	CTRP1	10.1855	15.4531	6.7452	15.4932
HCT 8	CTRP1	10.2425	11.585	8.5928	1.1754
SNU-61	CTRP1	10.2432	12.2561	8.306	3.173
HT-55	CTRP1	10.2957	14.651	7.2144	11.7092
CL-34	CTRP1	10.3445	16.2883	6.4516	16.9188
CW-2	CTRP1	10.3745	12.4469	8.2949	2.9818
SW480	CTRP1	10.3769	13.9785	7.5917	8.5143
LoVo	CTRP1	10.4894	13.4465	7.9116	5.6681
HT-29	CTRP1	10.5709	11.991	8.5805	0.8493
SNU-175	CTRP1	10.7381	12.6458	8.3965	1.6741
SNU-1040	CTRP1	10.7559	12.044	8.6366	0.4508
LS123	CTRP1	10.7761	12.5575	8.4496	1.3151
HT115	CTRP1	10.8088	12.0648	8.6494	0.3736
NCI-H508	CTRP1	10.8193	12.5194	8.4838	1.0811
RCM-1 [Human ESC]	CTRP1	11.0248	13.1983	8.3077	1.8133
MDST8	CTRP1	11.0422	15.0311	7.5191	7.3171
SNU-C4	CTRP1	11.0921	16.5413	6.8462	12.0154
RKO	CTRP1	11.2532	13.2985	8.3706	1.2023
COLO 320	CTRP1	11.5345	14.083	8.1883	1.848
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⏷ Show the Full List of 37 Cancer Drug Sensitivity Data of This Drug

Cancer Drug Sensitivity Data Curated from 4 Cell Line(s) in Liver Tissue

Cell Line	Original Dataset	IC50	IC90	EC50	AUC
JHH-6	CTRP1	6.5426	7.2722	4.9763	0.083
SNU-449	CTRP1	7.8391	9.8777	4.5395	0.7406
Hep-G2	CTRP1	10.6479	16.5145	6.5579	15.2543
SNU-398	CTRP1	10.8471	12.4766	8.5123	0.9101
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Cancer Drug Sensitivity Data Curated from 91 Cell Line(s) in Lung Tissue

Cell Line	Original Dataset	IC50	IC90	EC50	AUC
COR-L51	CTRP1	5.8429	64.4653	-21.368	49.7342
BEN	CTRP1	6.4644	7.487	4.8714	0.4248
SHP-77	CTRP1	6.5051	10.8736	3.371	11.2679
NCI-H1930	CTRP1	6.5464	8.3646	4.5575	2.0974
KNS-62	CTRP1	6.6418	8.323	4.6224	1.5307
NCI-H1435	CTRP1	6.6955	8.7169	4.4846	2.3318
NCI-H1915	CTRP1	6.7233	8.6874	4.5112	2.1094
NCI-H810	CTRP1	6.7592	9.8749	4.0068	5.6904
NCI-H2029	CTRP1	6.7896	8.2766	4.7084	0.8744
NCI-H2126	CTRP1	6.7923	8.0709	4.7873	0.5191
NCI-H1573	CTRP1	6.8183	8.8386	4.4955	2.0598
LC-1/sq-SF	CTRP1	6.8338	8.3442	4.7013	0.8649
NCI-H1437	CTRP1	6.915	9.3083	4.3462	2.8856
NCI-H1568	CTRP1	6.9372	9.2078	4.4004	2.4853
NCI-H1048	CTRP1	6.9604	8.8114	4.5744	1.3884
Calu-6	CTRP1	6.9675	8.8086	4.5788	1.3557
LCLC-103H	CTRP1	6.9754	8.3817	4.7458	0.5498
VMRC-LCD	CTRP1	7.0456	8.5201	4.7229	0.5893
DMS 273	CTRP1	7.1645	8.7448	4.6876	0.6427
LCLC-97TM1	CTRP1	7.1656	9.4332	4.4193	2.0181
HCC33	CTRP1	7.1785	11.0616	3.716	6.8724
NCI-H1355	CTRP1	7.179	10.546	3.9488	5.1769
LXF 289	CTRP1	7.1998	9.1795	4.5367	1.3124
Lu-65	CTRP1	7.2274	9.764	4.3129	2.5859
NCI-H727	CTRP1	7.232	10.0952	4.175	3.4847
NCI-H1944	CTRP1	7.2654	10.8373	3.868	5.5744
NCI-H2405	CTRP1	7.2693	9.8033	4.3173	2.4935
NCI-H2286	CTRP1	7.2787	8.6101	4.7795	0.2742
NCI-H2009	CTRP1	7.2945	10.0383	4.2315	3.0021
COR-L88	CTRP1	7.2956	9.6484	4.3935	1.9927
NCI-H1792	CTRP1	7.3119	10.7563	3.9302	5.033
NCI-H23	CTRP1	7.3802	10.2361	4.1916	3.1205
NCI-H358	CTRP1	7.4156	9.2934	4.5853	0.8716
HCC44	CTRP1	7.4625	9.2962	4.6034	0.7593
COLO 668	CTRP1	7.4792	9.2248	4.6363	0.6205
RERF-LC-KJ	CTRP1	7.4972	8.8644	4.7703	0.2175
EPLC-272H	CTRP1	7.519	9.3398	4.6099	0.6927
COR-L279	CTRP1	7.5432	8.8436	4.7935	0.1589
NCI-H1975	CTRP1	7.5644	9.4475	4.5884	0.744
HCC78	CTRP1	7.5984	9.7151	4.5022	1.0829
NCI-H1793	CTRP1	7.6358	9.4412	4.6187	0.5844
DV-90	CTRP1	7.6653	9.2135	4.7103	0.2974
NCI-H1299	CTRP1	7.73	9.4802	4.6407	0.4608
EBC-1	CTRP1	7.7307	9.5202	4.6267	0.5038
NCI-H650	CTRP1	7.749	9.4158	4.6704	0.3665
NCI-H522	CTRP1	7.7648	10.1125	4.4211	1.3061
Lu-99	CTRP1	7.7728	9.0981	4.7871	0.1195
NCI-H661	CTRP1	7.7911	9.7163	4.5794	0.6271
Calu-3	CTRP1	7.8721	9.6575	4.631	0.4209
ChaGo-K-1	CTRP1	7.8726	9.7939	4.5828	0.5681
NCI-H1373	CTRP1	7.8977	9.914	4.5492	0.6676
NCI-H1666	CTRP1	7.9505	15.0544	2.341	14.0467
A-549	CTRP1	8.0178	10.8218	4.2561	1.8667
NCI-H1105	CTRP1	8.0296	12.7535	6.2966	27.6587
NCI-H82	CTRP1	8.0983	15.6995	2.1324	14.8474
HARA [Human squamous cell lung carcinoma]	CTRP1	8.1364	9.7594	4.6905	0.1945
NCI-H1963	CTRP1	8.916	10.4362	8.2478	7.9235
NCI-H1694	CTRP1	9.2505	11.3614	8.0632	8.2045
NCI-H1876	CTRP1	9.4285	11.6212	8.0712	7.4757
NCI-H2141	CTRP1	9.4285	10.9449	8.4034	4.5426
SCLC-21H	CTRP1	9.5669	13.5289	7.2318	14.0842
HCC1359	CTRP1	9.76	11.6149	8.3073	4.3615
NCI-H1836	CTRP1	9.7851	11.9801	8.1502	5.6213
NCI-H2110	CTRP1	9.8201	12.1017	8.1156	5.8114
NCI-H2342	CTRP1	10.1278	13.9446	7.4393	10.4847
NCI-H2081	CTRP1	10.3204	13.1088	7.9638	5.6811
NCI-H1781	CTRP1	10.3257	16.7959	6.1887	18.6102
COR-L23	CTRP1	10.3908	13.4502	7.8491	6.4171
NCI-H2023	CTRP1	10.4561	12.9588	8.1135	4.1746
HCC1833	CTRP1	10.5263	13.2557	8.0205	4.73
HCC2935	CTRP1	10.5335	13.7325	7.8067	6.3828
HCC1195	CTRP1	10.5443	14.2255	7.5838	8.1072
NCI-H460	CTRP1	10.6162	11.8306	8.6595	0.4583
HCC4006	CTRP1	10.6238	12.8325	8.2614	2.7443
CAL-12T	CTRP1	10.6676	13.4381	8.0201	4.4158
HCC2108	CTRP1	10.7044	12.5079	8.4365	1.4812
NCI-H596	CTRP1	10.7294	12.6788	8.3789	1.7941
NCI-H2122	CTRP1	10.8074	12.2513	8.5808	0.6341
Sq-1	CTRP1	10.8166	12.6978	8.4122	1.4765
NCI-H841	CTRP1	10.9196	15.8548	7.0584	11.0124
SK-LU-1	CTRP1	10.9269	13.0452	8.3236	1.8519
NCI-H2172	CTRP1	10.9343	15.6236	7.1769	10.1171
T3M-10	CTRP1	10.9882	17.0979	6.5114	14.5278
NCI-H3255	CTRP1	11.1169	12.813	8.4975	0.7411
NCI-H1755	CTRP1	11.1931	13.0568	8.4374	0.941
HCC15	CTRP1	11.2645	17.7682	6.3768	14.5801
NCI-H441	CTRP1	11.3631	17.0023	6.804	11.5676
HCC827	CTRP1	11.4269	13.1851	8.4838	0.5778
NCI-H2030	CTRP1	11.7111	16.776	7.1225	8.5579
COLO 699	CTRP1	12.6636	21.3488	5.5955	15.3361
NCI-H2073	CTRP1	12.7216	20.6322	5.9651	13.2794
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⏷ Show the Full List of 91 Cancer Drug Sensitivity Data of This Drug

Cancer Drug Sensitivity Data Curated from 3 Cell Line(s) in Oesophagus Tissue

Cell Line	Original Dataset	IC50	IC90	EC50	AUC
KYSE-140	CTRP1	7.2385	11.0019	3.7785	6.2795
KYSE-450	CTRP1	7.3808	8.7545	4.7665	0.2671
KYSE-410	CTRP1	8.0169	10.2332	4.4796	0.8456
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Cancer Drug Sensitivity Data Curated from 26 Cell Line(s) in Ovary Tissue

Cell Line	Original Dataset	IC50	IC90	EC50	AUC
JHOS-4	CTRP1	6.9879	8.8374	4.5766	1.3433
COV318	CTRP1	7.1872	8.0725	4.9287	0.0414
OVMANA	CTRP1	7.2194	8.3048	4.8628	0.1171
EFO-21	CTRP1	7.3468	8.7879	4.7424	0.3458
SK-OV-3	CTRP1	7.7539	9.2046	4.7448	0.1937
HEY A8	CTRP1	7.9548	9.169	4.8245	0.0536
OVK18	CTRP1	8.9581	16.2099	5.399	27.9107
OVCAR-8	CTRP1	9.601	12.1625	7.9324	8.092
OAW42	CTRP1	9.8164	11.2545	8.5097	2.555
RMG-I	CTRP1	10.3468	17.4478	5.8834	20.2896
COV644	CTRP1	10.411	14.343	7.441	9.6052
Caov-3	CTRP1	10.4842	12.2068	8.4543	1.6848
OVKATE	CTRP1	10.4953	15.1272	7.1223	11.7838
COV362	CTRP1	10.5344	12.7143	8.265	2.885
JHOM-1	CTRP1	10.5943	13.7915	7.8168	6.1503
OVCAR-4	CTRP1	10.6651	14.891	7.3482	9.5897
COV434	CTRP1	10.7935	13.3841	8.1135	3.4715
A2780	CTRP1	10.9353	12.8571	8.4029	1.3825
SNU-840	CTRP1	10.9551	13.1783	8.2827	2.0619
OV7	CTRP1	11.0066	13.0986	8.3393	1.6528
RMUG-S	CTRP1	11.0205	15.8687	7.117	10.3162
JHOC-5	CTRP1	11.1177	12.3526	8.6622	0.2033
IGROV-1	CTRP1	11.1369	12.9176	8.4665	0.8586
TYK-nu	CTRP1	11.1866	12.9384	8.4791	0.7634
EFO-27	CTRP1	11.3659	13.5575	8.3194	1.3433
OV-90	CTRP1	11.3854	12.7327	8.627	0.1949
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⏷ Show the Full List of 26 Cancer Drug Sensitivity Data of This Drug

Cancer Drug Sensitivity Data Curated from 10 Cell Line(s) in Pancreas Tissue

Cell Line	Original Dataset	IC50	IC90	EC50	AUC
PaTu 8902	CTRP1	7.0203	8.264	4.8057	0.3165
Panc 03.27	CTRP1	7.2943	8.7612	4.7322	0.4022
HPAC	CTRP1	7.4623	9.2636	4.6154	0.7117
SUIT-2	CTRP1	7.5216	8.7041	4.8328	0.1018
CFPAC-1	CTRP1	7.5711	9.4933	4.5742	0.7958
QGP-1	CTRP1	7.6146	9.5039	4.5876	0.7116
HuP-T4	CTRP1	7.8102	9.4929	4.6659	0.353
Panc 10.05	CTRP1	8.0644	9.5679	4.7299	0.1464
Capan-2	CTRP1	8.3466	14.5688	2.8137	10.2683
KP-3	CTRP1	8.6042	15.3233	2.6235	10.841
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⏷ Show the Full List of 10 Cancer Drug Sensitivity Data of This Drug

Cancer Drug Sensitivity Data Curated from 3 Cell Line(s) in Pleura Tissue

Cell Line	Original Dataset	IC50	IC90	EC50	AUC
MSTO-211H	CTRP1	7.1823	9.0675	4.5727	1.1469
NCI-H28	CTRP1	7.2032	9.031	4.5958	1.0131
NCI-H2052	CTRP1	8.1312	9.9913	4.6094	0.3694
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Cancer Drug Sensitivity Data Curated from 1 Cell Line(s) in Prostate Tissue

Cell Line	Original Dataset	IC50	IC90	EC50	AUC
PaCa-3	CTRP1	6.4706	8.4653	4.4736	2.8241
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Cancer Drug Sensitivity Data Curated from 9 Cell Line(s) in Skin Tissue

Cell Line	Original Dataset	IC50	IC90	EC50	AUC
Hs 852.T	CTRP1	6.88	9.3965	4.2896	3.3417
Hs 936.T	CTRP1	7.1957	12.8034	2.9129	12.5061
COLO 741	CTRP1	7.2261	9.5397	4.4047	2.0212
Hs 944.T	CTRP1	7.7771	9.2307	4.7441	0.1889
G-361	CTRP1	8.1322	13.387	3.2231	8.1438
SK-MEL-1	CTRP1	9.4166	11.2918	8.2247	6.1597
SK-MEL-5	CTRP1	10.3152	11.7235	8.571	1.2064
SK-MEL-28	CTRP1	10.4071	11.211	8.8007	0.1295
A-375	CTRP1	10.8798	12.3349	8.579	0.5865
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⏷ Show the Full List of 9 Cancer Drug Sensitivity Data of This Drug

Cancer Drug Sensitivity Data Curated from 3 Cell Line(s) in Soft Tissue Tissue

Cell Line	Original Dataset	IC50	IC90	EC50	AUC
G-401	CTRP1	8.013	12.451	3.5719	6.0892
HT-1080	CTRP1	10.3875	14.0355	7.5716	8.6438
RKN	CTRP1	10.4714	12.0576	8.5092	1.3631
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Cancer Drug Sensitivity Data Curated from 7 Cell Line(s) in Stomach Tissue

Cell Line	Original Dataset	IC50	IC90	EC50	AUC
SH-10-TC	CTRP1	6.9519	8.1097	4.8347	0.2651
Fu97	CTRP1	7.0339	10.7504	3.7714	6.8068
NUGC-4	CTRP1	7.1549	8.9924	4.5899	1.0896
MKN74	CTRP1	7.5576	10.1688	4.3061	2.1521
MKN7	CTRP1	8.0912	9.5748	4.7367	0.1313
AGS	CTRP1	8.97	11.6184	7.7043	12.5265
SNG-M	CTRP1	7.9627	9.4684	4.7283	0.1709
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⏷ Show the Full List of 7 Cancer Drug Sensitivity Data of This Drug

Cancer Drug Sensitivity Data Curated from 2 Cell Line(s) in Upper Aerodigestive Tract Tissue

Cell Line	Original Dataset	IC50	IC90	EC50	AUC
HSC-2	CTRP1	7.111	8.323	4.8184	0.2417
SCC-9	CTRP1	11.7446	21.2269	5.0417	20.2761
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Cancer Drug Sensitivity Data Curated from 5 Cell Line(s) in Urinary Tract Tissue

Cell Line	Original Dataset	IC50	IC90	EC50	AUC
RT-4	CTRP1	6.8929	8.8738	4.5174	1.8112
UM-UC-3	CTRP1	7.1397	8.5996	4.731	0.4951
HT-1376	CTRP1	7.1721	9.0208	4.5864	1.0895
5637	CTRP1	7.8077	9.5429	4.6475	0.4039
KMBC-2	CTRP1	8.1123	12.9713	3.3975	7.0431
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References

1	URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 4517).
2	Structure of isocitrate lyase, a persistence factor of Mycobacterium tuberculosis. Nat Struct Biol. 2000 Aug;7(8):663-8.