BioLiP

PDB

BioLiP

PDB CCD ID:

LEI

Number of entries in BioLiP:

Chemical formula:

C5 H11 N O2 S

InChI:

InChI=1S/C5H11NO2S/c1-5(2,9)3(6)4(7)8/h3,9H,6H2,1-2H3,(H,7,8)/t3-/m0/s1

InChIKey:

VVNCNSJFMMFHPL-VKHMYHEASA-N

SMILES:

Software	SMILES
ACDLabs 10.04	O=C(O)C(N)C(S)(C)C
OpenEye OEToolkits 1.5.0	CC(C)([C@H](C(=O)O)N)S
CACTVS 3.341	CC(C)(S)[CH](N)C(O)=O
CACTVS 3.341	CC(C)(S)[C@@H](N)C(O)=O
OpenEye OEToolkits 1.5.0	CC(C)(C(C(=O)O)N)S

Name:

3-sulfanyl-D-valine;
D-PENICILLAMINE

ChEMBL:

CHEMBL1430

DrugBank:

DB00859

ZINC:

ZINC000000114127

Reference:

Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).

Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).