Details of the Drug

General Information of Drug (ID: DMKSTWR)

Drug Name

L-Proline

Synonyms

Carboxypyrrolidine; Pro; Prolina; Prolinum; Prolina [Spanish]; Prolinum [Latin]; CB 1707; L-Prolin; PRO (IUPACabbreviation); Proline (USP); Proline (VAN); Proline [USAN:INN]; H-Pro-OH; L-Proline (JAN); L-Proline-15N; L-alpha-Pyrrolidinecarboxylic acid; L-Proline, labeled with carbon-14; L-Pyrrolidine-2-carboxylic acid; L-(2,3-3H)Proline; (-)-(S)-Proline; (-)-2-Pyrrolidinecarboxylic acid; (-)-Proline (S)-2-Carboxypyrrolidine; (2S)-pyrrolidine-2-carboxylic acid; (S)-2-Carboxypyrrolidine; (S)-2-Pyrrolidinecarboxylic acid; (S)-Proline; (S)-Pyrrolidine-2-carboxylic acid; 2-pyrrolidinecarboxylic acid

Indication

Disease Entry	ICD 11	Status	REF
Malnutrition	5B50-5B71	Approved	[1]
------------------------------------------------------------------------------------

Therapeutic Class

Dietary supplement

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 1

Molecular Weight (mw)

115.13

Logarithm of the Partition Coefficient (xlogp)

-2.5

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

Chemical Identifiers

Formula: C5H9NO2
IUPAC Name: (2S)-pyrrolidine-2-carboxylic acid
Canonical SMILES: C1C[C@H](NC1)C(=O)O
InChI: InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1
InChIKey: ONIBWKKTOPOVIA-BYPYZUCNSA-N

Cross-matching ID

PubChem CID: 145742
ChEBI ID: CHEBI:17203
CAS Number: 4305-67-3
DrugBank ID: DB00172
TTD ID: D0DZ3X
VARIDT ID: DR00179

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Rotamase A (PPIA)	TTL2ADK	PPIA_HUMAN	Binder	[2]
Rotamase B (PPIB)	TT6ZFQ4	PPIB_HUMAN	Binder	[3]

------------------------------------------------------------------------------------

Drug Transporter (DTP)

DTP Name	DTP ID	UniProt ID	MOA	REF
Sodium-dependent proline transporter (SLC6A7)	DTH1GEL	SC6A7_HUMAN	Substrate	[4]
Proton-coupled amino acid transporter 4 (SLC36A4)	DTBS49U	S36A4_HUMAN	Substrate	[5]
Na(+)/Cl(-) betaine/GABA transporter (SLC6A12)	DTBPTJF	S6A12_HUMAN	Substrate	[6]
L-type amino acid transporter 2 (SLC7A8)	DTJF3DX	LAT2_HUMAN	Substrate	[7]
Proton-coupled amino acid transporter 1 (SLC36A1)	DT48WEM	S36A1_HUMAN	Substrate	[8]

------------------------------------------------------------------------------------

Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

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: 3314).
2	Mechanistic insight into the role of transition-state stabilization in cyclophilin A. J Am Chem Soc. 2009 Jan 14;131(1):147-52.
3	Escherichia coli cyclophilin B binds a highly distorted form of trans-prolyl peptide isomer. Eur J Biochem. 2004 Sep;271(18):3794-803.
4	A new association between polymorphisms of the SLC6A7 gene in the chromosome 5q31-32 region and asthma. J Hum Genet. 2010 Jun;55(6):358-65.
5	SLC36A4 (hPAT4) is a high affinity amino acid transporter when expressed in Xenopus laevis oocytes. J Biol Chem. 2011 Jan 28;286(4):2455-60.
6	Interpreting metabolomic profiles using unbiased pathway models. PLoS Comput Biol. 2010 Feb 26;6(2):e1000692.
7	The Transporter Classification Database (TCDB): recent advances. Nucleic Acids Res. 2016 Jan 4;44(D1):D372-9. (ID: 2.A.3.8.20)
8	PAT1 (SLC36A1) shows nuclear localization and affects growth of smooth muscle cells from rats. Am J Physiol Endocrinol Metab. 2014 Jan 1;306(1):E65-74.