General Information of Drug (ID: DMDASRW)

Drug Name
Norleucine
Synonyms
L-Norleucine; 327-57-1; H-Nle-OH; NORLEUCINE; (S)-2-Aminohexanoic acid; Glycoleucine; Caprine; L-(+)-Norleucine; L-2-Aminohexanoic acid; 2-Aminocaproic acid; L-2-Aminohexanoate; L-Aminohexanoate; alpha-Aminocaproic acid; (2S)-2-aminohexanoic acid; (S)-(+)-2-Aminohexanoic acid; Norleucine (VAN); L-Aminohexanoic acid; Hexanoic acid, 2-amino-, (S)-; 2S-amino-hexanoic acid; (S)-2-Aminocaproic acid; (S)-Norleucine; NSC 10378; L(+)-Norleucine; UNII-832C8OV84S; EINECS 206-321-4; BRN 1721750; NLE; CHEBI:18347; LRQKBLKVPFOOQJ-YFKPBYRVSA-N
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 131.17
Logarithm of the Partition Coefficient (xlogp) -1.5
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C6H13NO2
IUPAC Name
(2S)-2-aminohexanoic acid
Canonical SMILES
CCCC[C@@H](C(=O)O)N
InChI
InChI=1S/C6H13NO2/c1-2-3-4-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m0/s1
InChIKey
LRQKBLKVPFOOQJ-YFKPBYRVSA-N
Cross-matching ID
PubChem CID
21236
ChEBI ID
CHEBI:18347
CAS Number
327-57-1
UNII
832C8OV84S
DrugBank ID
DB15458
TTD ID
D00EFT

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Hepatocyte nuclear factor 1-alpha (HNF1A) TT01M3K HNF1A_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) 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 Breast Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
MCF-7 CTRP1 8.8309 10.7667 6.3911 1.58
Cancer Drug Sensitivity Data Curated from 3 Cell Line(s) in Central Nervous System Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
SF295 CTRP1 6.682 8.378 4.4781 1.2704
GaMG CTRP1 7.4418 8.942 4.5753 0.2929
LN-229 CTRP1 9.4192 11.2109 6.4714 0.6272
Cancer Drug Sensitivity Data Curated from 10 Cell Line(s) in Endometrium Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
HEC-265 CTRP1 6.9433 7.9743 4.7294 0.1197
HEC-6 CTRP1 6.9538 8.2327 4.6443 0.3145
KLE CTRP1 7.0987 9.009 4.4156 1.1351
HEC-108 CTRP1 7.4258 8.5981 4.6859 0.0897
HEC-251 CTRP1 7.4872 8.8797 4.6128 0.1941
MFE-319 CTRP1 7.6642 13.4736 2.7738 10.9949
HEC-59 CTRP1 7.7605 9.1613 4.6124 0.1306
JHUEM-2 CTRP1 8.5334 10.6275 6.3018 2.6258
HEC-151 CTRP1 8.6197 10.9636 6.2026 3.1686
Ishikawa (Heraklio) 02 ER- CTRP1 5.4513 6.6013 4.5851 2.8931
⏷ 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 5.6215 6.7306 4.6323 2.0455
MC116 CTRP1 6.2234 6.9974 4.8083 0.1812
HT CTRP1 6.7229 8.1919 4.5683 0.7615
Ku812 CTRP1 7.1382 8.7011 4.547 0.5321
KE-97 CTRP1 7.3131 8.6969 4.6136 0.2475
P3HR-1 CTRP1 7.461 8.8339 4.6191 0.189
PL21 CTRP1 7.6828 9.3973 6.3598 4.1375
SU-DHL-5 CTRP1 7.776 8.9458 6.6247 1.7581
NU-DUL-1 CTRP1 8.202 10.3899 6.222 3.9162
WSU-DLCL2 CTRP1 8.466 9.4913 6.7241 0.319
SKM-1 CTRP1 8.552 9.8729 6.6176 0.6882
AMO1 CTRP1 8.6231 9.7407 6.6947 0.3281
KMS-11 CTRP1 8.7867 10.6032 6.4362 1.3769
EJM CTRP1 8.8411 10.5063 6.4983 0.9847
OCI-AML-3 CTRP1 8.8501 10.3431 6.5639 0.6717
NOMO-1 CTRP1 8.8611 10.0507 6.674 0.2722
SU-DHL-4 CTRP1 8.9762 10.2403 6.6499 0.2882
U-937 CTRP1 8.9794 10.1925 6.6677 0.2397
MOLM-16 CTRP1 9.0138 10.586 6.5399 0.6446
LP-1 CTRP1 9.1531 10.4292 6.6485 0.2223
GDM-1 CTRP1 9.1909 11.3036 6.3414 1.4188
RPMI-8226 CTRP1 9.2338 11.3018 6.361 1.2704
OCI-Ly10 CTRP1 9.3193 13.1116 5.644 5.7766
THP-1 CTRP1 9.5607 11.1498 6.5463 0.32
⏷ 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 6.9836 9.7694 4.0482 3.5728
RCC10RGB CTRP1 8.8528 10.1631 6.631 0.4105
Cancer Drug Sensitivity Data Curated from 37 Cell Line(s) in Large Intestine Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
LS513 CTRP1 6.2535 8.0968 4.382 2.5843
DLD-1 CTRP1 6.4796 7.4533 4.7428 0.2513
SW48 CTRP1 6.664 8.8903 4.2576 2.6974
SK-CO-1 CTRP1 6.7542 8.7611 4.3571 1.8935
COLO205 CTRP1 6.923 8.2381 4.6309 0.3714
LS411N CTRP1 7.0609 8.3486 4.6431 0.2706
C2BBe1 CTRP1 7.3682 9.2025 4.4544 0.7273
GP2d CTRP1 7.5764 9.2496 4.5172 0.3916
HT-29 CTRP1 7.8566 10.7184 5.8437 8.0119
SW403 CTRP1 7.9238 9.4493 4.5721 0.1588
SNU-C2A CTRP1 7.9531 11.1077 3.9711 2.5441
SNU-C5 CTRP1 7.9786 9.8165 6.3502 3.4343
HCT 8 CTRP1 8.0454 9.3969 6.5736 1.6099
CL-40 CTRP1 8.3252 10.6906 6.1583 4.127
COLO 320 CTRP1 8.3298 10.5221 6.2366 3.5125
CL-34 CTRP1 8.3575 10.2194 6.3846 2.3669
NCI-H508 CTRP1 8.5223 10.2145 6.4695 1.5331
MDST8 CTRP1 8.6197 9.8567 6.6513 0.4877
SNU-C4 CTRP1 8.661 9.9723 6.6252 0.5629
HCT 116 CTRP1 8.7165 10.4254 6.4749 1.2461
HT115 CTRP1 8.7344 10.1245 6.5983 0.6179
SW948 CTRP1 8.7951 10.3215 6.5494 0.7833
LS123 CTRP1 8.8186 10.911 6.3266 1.9891
SNU-61 CTRP1 8.9001 11.1839 6.2535 2.3297
RCM-1 [Human ESC] CTRP1 8.9375 10.2229 6.6417 0.3301
LoVo CTRP1 8.9942 11.0136 6.3675 1.5077
HT-55 CTRP1 9.008 10.4823 6.5757 0.5109
COLO 678 CTRP1 9.0103 10.5028 6.5691 0.5336
SNU-1040 CTRP1 9.0415 10.469 6.5934 0.4287
SNU-81 CTRP1 9.0656 10.7414 6.5032 0.7575
RKO CTRP1 9.131 10.7427 6.529 0.6039
KM12 CTRP1 9.1406 10.586 6.5892 0.3886
SNU-175 CTRP1 9.158 11.8671 6.0967 2.9376
SW620 CTRP1 9.2704 10.7961 6.5633 0.4022
CW-2 CTRP1 9.3609 11.4612 6.3542 1.1758
LS180 CTRP1 9.4266 10.7325 6.6414 0.1566
SW480 CTRP1 10.0655 12.1027 6.3982 0.5072
⏷ 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 5.958 6.9746 4.7062 0.8848
SNU-449 CTRP1 7.6392 11.0669 3.8351 3.8525
Hep-G2 CTRP1 8.935 10.2933 6.6157 0.4148
SNU-398 CTRP1 9.4105 11.0472 6.5269 0.4434
Cancer Drug Sensitivity Data Curated from 91 Cell Line(s) in Lung Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
BEN CTRP1 6.1944 7.4561 4.6224 1.0635
NCI-H1930 CTRP1 6.2733 9.7543 3.6298 8.5092
SHP-77 CTRP1 6.597 8.1894 4.5144 1.1707
LCLC-103H CTRP1 6.5985 7.6365 4.7224 0.2545
NCI-H1568 CTRP1 6.6306 8.5204 4.3962 1.8318
NCI-H2286 CTRP1 6.7727 8.2756 4.5574 0.7668
NCI-H810 CTRP1 6.8039 8.0649 4.6475 0.3829
NCI-H522 CTRP1 6.8375 9.1718 4.2273 2.6035
NCI-H1792 CTRP1 6.8822 9.3514 4.1741 2.886
COLO 668 CTRP1 6.9004 9.0878 4.2935 2.0752
NCI-H1944 CTRP1 6.9113 9.6658 4.0545 3.6652
HCC44 CTRP1 6.9263 8.7069 4.4577 1.1015
COR-L279 CTRP1 6.9831 8.4645 4.5724 0.5396
RERF-LC-KJ CTRP1 6.9897 8.5633 4.5387 0.6678
DV-90 CTRP1 6.9899 10.7985 3.594 6.8855
NCI-H2126 CTRP1 6.993 8.1327 4.6932 0.1759
NCI-H727 CTRP1 6.9955 8.8984 4.4135 1.2556
EPLC-272H CTRP1 7.0274 9.0046 4.386 1.3663
EBC-1 CTRP1 7.0371 12.3517 2.8999 11.7985
VMRC-LCD CTRP1 7.0612 8.5556 4.5698 0.4984
NCI-H1435 CTRP1 7.0634 9.6333 4.1473 2.7604
HCC33 CTRP1 7.0658 8.6143 4.5503 0.5673
COR-L88 CTRP1 7.0736 8.9108 4.4425 1.0276
LC-1/sq-SF CTRP1 7.1013 8.4145 4.6349 0.2755
NCI-H1048 CTRP1 7.1292 8.7451 4.5274 0.611
NCI-H2141 CTRP1 7.1809 10.1155 5.631 12.2817
NCI-H23 CTRP1 7.2144 9.1747 4.4015 1.0892
Calu-3 CTRP1 7.2301 8.8806 4.5176 0.5801
NCI-H2029 CTRP1 7.2394 8.5158 4.6494 0.1922
NCI-H1975 CTRP1 7.2756 9.1796 4.4253 0.923
NCI-H358 CTRP1 7.2767 8.8467 4.5477 0.4481
KNS-62 CTRP1 7.2778 8.8833 4.5351 0.4892
NCI-H1666 CTRP1 7.2807 11.1583 3.6014 6.1653
NCI-H1573 CTRP1 7.2894 9.2061 4.421 0.9304
NCI-H1793 CTRP1 7.3102 8.9459 4.525 0.5045
NCI-H2009 CTRP1 7.3622 9.3602 4.3931 0.9924
Lu-99 CTRP1 7.3716 8.6678 4.6441 0.1655
LXF 289 CTRP1 7.38 9.1242 4.4876 0.5932
Calu-6 CTRP1 7.388 8.8984 4.5709 0.3262
NCI-H82 CTRP1 7.3976 8.536 4.697 0.0806
DMS 273 CTRP1 7.4348 9.2567 4.4608 0.6562
NCI-H661 CTRP1 7.4605 9.7457 4.2876 1.4053
NCI-H1299 CTRP1 7.4702 10.04 4.176 1.9959
LCLC-97TM1 CTRP1 7.4792 9.8568 4.2525 1.5662
HCC78 CTRP1 7.5187 8.9955 4.5844 0.2439
NCI-H1915 CTRP1 7.556 8.9142 4.625 0.1541
NCI-H1355 CTRP1 7.5593 9.5743 4.3937 0.83
NCI-H2081 CTRP1 7.6443 9.1992 6.4284 3.6667
Lu-65 CTRP1 7.6769 9.4888 4.4702 0.4824
NCI-H1437 CTRP1 7.7634 9.5378 4.4851 0.3981
ChaGo-K-1 CTRP1 7.7755 10.0123 4.3185 0.9741
NCI-H650 CTRP1 7.7825 9.442 4.5252 0.289
NCI-H2405 CTRP1 7.7892 9.7324 4.4259 0.5634
NCI-H1963 CTRP1 7.8405 11.1725 5.6115 10.0168
SCLC-21H CTRP1 7.9041 9.6986 6.3592 3.5463
NCI-H1373 CTRP1 7.9757 9.7814 4.4775 0.3326
A-549 CTRP1 8.0715 9.9923 4.4391 0.3915
NCI-H1781 CTRP1 8.1141 9.9668 6.3617 3.03
HARA [Human squamous cell lung carcinoma] CTRP1 8.2136 9.6434 4.6053 0.0726
NCI-H2073 CTRP1 8.2146 10.151 6.3366 3.0023
NCI-H1876 CTRP1 8.2683 9.8987 6.4751 1.8969
HCC1359 CTRP1 8.4616 9.5391 6.7051 0.3901
COR-L51 CTRP1 8.6014 11.4951 5.9562 5.0514
T3M-10 CTRP1 8.7077 11.6584 5.9445 4.8982
NCI-H460 CTRP1 8.7116 9.7893 6.7105 0.237
NCI-H2122 CTRP1 8.7761 10.2371 6.5733 0.6921
SK-LU-1 CTRP1 8.8735 10.486 6.5198 0.8491
HCC827 CTRP1 8.9007 10.6386 6.473 1.0505
Sq-1 CTRP1 8.9167 10.5144 6.5271 0.7771
NCI-H1694 CTRP1 8.9243 10.2666 6.6212 0.4024
COR-L23 CTRP1 8.9419 10.2465 6.635 0.3485
COLO 699 CTRP1 8.968 11.1263 6.3101 1.8763
NCI-H1105 CTRP1 8.9923 10.6208 6.5183 0.7523
NCI-H1836 CTRP1 9.0093 10.6216 6.525 0.7101
NCI-H2172 CTRP1 9.0515 10.6714 6.5235 0.6831
NCI-H441 CTRP1 9.0631 11.1946 6.3269 1.6518
HCC15 CTRP1 9.0757 11.3786 6.2585 2.0375
HCC2935 CTRP1 9.0866 10.6317 6.552 0.5467
NCI-H3255 CTRP1 9.1944 10.8672 6.5085 0.6388
NCI-H841 CTRP1 9.1989 10.8443 6.5186 0.5969
HCC1195 CTRP1 9.2052 10.5785 6.6156 0.2835
NCI-H2023 CTRP1 9.2268 11.2296 6.3857 1.1538
CAL-12T CTRP1 9.2579 11.0195 6.4777 0.7145
HCC4006 CTRP1 9.354 11.1922 6.4525 0.7451
NCI-H596 CTRP1 9.3946 10.8985 6.5733 0.317
NCI-H2342 CTRP1 9.5777 11.3483 6.4828 0.4945
NCI-H1755 CTRP1 9.596 11.4011 6.4709 0.5229
HCC2108 CTRP1 9.6357 11.585 6.42 0.6756
NCI-H2030 CTRP1 9.6373 11.3301 6.5114 0.3807
NCI-H2110 CTRP1 9.643 11.9033 6.3049 1.1447
HCC1833 CTRP1 9.6551 11.4018 6.4928 0.4252
⏷ 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-450 CTRP1 6.9478 8.2264 4.6443 0.3175
KYSE-410 CTRP1 7.5168 9.7565 4.3076 1.2493
KYSE-140 CTRP1 8.1886 10.0983 4.4447 0.3343
Cancer Drug Sensitivity Data Curated from 26 Cell Line(s) in Ovary Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
COV318 CTRP1 6.3988 7.9629 4.5133 1.4407
OVK18 CTRP1 6.8556 8.0077 6.406 6.784
EFO-21 CTRP1 6.9259 8.2795 4.6172 0.4149
HEY A8 CTRP1 6.9855 8.4779 4.5685 0.5527
JHOS-4 CTRP1 7.2548 8.9513 4.5015 0.6238
SK-OV-3 CTRP1 7.3824 8.8049 4.6012 0.252
OVMANA CTRP1 7.5736 8.9607 4.6154 0.1664
OAW42 CTRP1 7.9449 9.4886 6.4788 2.5033
OVCAR-8 CTRP1 8.3796 10.1552 6.4235 2.0573
COV434 CTRP1 8.6152 13.5082 5.0209 12.1631
OVCAR-4 CTRP1 8.6715 10.4417 6.4477 1.4584
A2780 CTRP1 8.6958 10.7334 6.3399 2.0922
SNU-840 CTRP1 8.7314 12.3088 5.6622 7.0044
OVKATE CTRP1 8.7363 10.1922 6.5738 0.7243
OV-90 CTRP1 8.7581 10.4318 6.491 1.1105
Caov-3 CTRP1 8.7586 11.0011 6.2593 2.5222
JHOM-1 CTRP1 9.0796 10.4242 6.6235 0.316
TYK-nu CTRP1 9.0817 11.0727 6.3834 1.3186
EFO-27 CTRP1 9.198 11.1137 6.4178 1.0271
OV7 CTRP1 9.2904 10.9958 6.4993 0.6084
COV362 CTRP1 9.3255 11.108 6.4721 0.6881
RMG-I CTRP1 9.4945 11.6666 6.3324 1.1526
COV644 CTRP1 9.5726 11.0372 6.5892 0.2168
IGROV-1 CTRP1 9.6187 11.6528 6.3885 0.8073
RMUG-S CTRP1 9.6981 13.6857 5.6005 5.3147
JHOC-5 CTRP1 10.0878 16.0872 4.7495 10.1391
⏷ 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
SUIT-2 CTRP1 6.7832 8.358 4.5305 0.8841
HPAC CTRP1 7.0341 8.8553 4.447 1.0448
PaTu 8902 CTRP1 7.1579 8.6323 4.5792 0.4109
QGP-1 CTRP1 7.2117 8.8275 4.5297 0.5479
Panc 03.27 CTRP1 7.2129 8.538 4.6324 0.2388
CFPAC-1 CTRP1 7.2988 9.339 4.3746 1.1376
Panc 10.05 CTRP1 7.4672 8.9335 4.5873 0.2548
HuP-T4 CTRP1 7.6274 9.4246 4.4744 0.4949
KP-3 CTRP1 7.8265 15.2243 2.0563 14.9494
Capan-2 CTRP1 7.8907 9.636 4.4971 0.3166
⏷ 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 6.6648 9.1748 4.135 3.5696
NCI-H28 CTRP1 7.0715 10.2129 3.9028 4.4336
NCI-H2052 CTRP1 7.681 10.243 4.1907 1.6666
Cancer Drug Sensitivity Data Curated from 1 Cell Line(s) in Prostate Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
PaCa-3 CTRP1 5.8884 7.893 4.2591 4.4092
Cancer Drug Sensitivity Data Curated from 9 Cell Line(s) in Skin Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
Hs 936.T CTRP1 6.6478 7.6223 4.7454 0.1737
COLO 741 CTRP1 7.2726 9.4141 4.3343 1.3661
G-361 CTRP1 7.4866 8.8611 4.6189 0.1825
Hs 852.T CTRP1 7.5702 9.0268 4.5919 0.212
SK-MEL-28 CTRP1 7.8411 9.1607 6.566 2.0631
Hs 944.T CTRP1 8.0164 9.4109 4.616 0.0854
A-375 CTRP1 8.2164 9.6709 6.5448 1.5169
SK-MEL-1 CTRP1 8.8148 10.1367 6.6258 0.452
SK-MEL-5 CTRP1 9.3068 10.5547 6.6598 0.1536
⏷ 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 7.6946 12.1603 3.3897 6.7645
HT-1080 CTRP1 8.6689 10.1849 6.548 0.912
RKN CTRP1 8.8071 9.8595 6.7207 0.1756
Cancer Drug Sensitivity Data Curated from 7 Cell Line(s) in Stomach Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
MKN74 CTRP1 6.4459 8.5713 4.2795 2.9518
Fu97 CTRP1 7.0053 8.5641 4.5447 0.6319
SH-10-TC CTRP1 7.1633 8.3614 4.6752 0.1624
NUGC-4 CTRP1 7.6968 9.3754 4.5173 0.3401
MKN7 CTRP1 7.8479 9.5907 4.4974 0.3317
AGS CTRP1 9.1718 10.4561 6.6459 0.2218
SNG-M CTRP1 6.9909 9.9365 3.9797 4.0431
⏷ 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 7.1483 9.1042 4.4003 1.161
SCC-9 CTRP1 9.5099 10.9634 6.5922 0.2296
Cancer Drug Sensitivity Data Curated from 5 Cell Line(s) in Urinary Tract Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
HT-1376 CTRP1 6.7556 10.503 3.5874 7.5173
RT-4 CTRP1 6.7656 12.2804 2.7524 13.5957
5637 CTRP1 6.9863 9.2507 4.2681 2.1071
UM-UC-3 CTRP1 7.4595 9.3973 4.419 0.802
KMBC-2 CTRP1 7.7873 9.8987 4.3651 0.7794

References

1 The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.