BioLiP

PDB

BioLiP

PDB CCD ID:

BCX

Number of entries in BioLiP:

Chemical formula:

C4 H9 N O2 S

InChI:

InChI=1S/C4H9NO2S/c5-3(2-8)1-4(6)7/h3,8H,1-2,5H2,(H,6,7)/t3-/m1/s1

InChIKey:

UGPZHAXXEJECMI-GSVOUGTGSA-N

SMILES:

Software	SMILES
CACTVS 3.370	N[CH](CS)CC(O)=O
ACDLabs 12.01	O=C(O)CC(N)CS
OpenEye OEToolkits 1.7.2	C([C@H](CS)N)C(=O)O
OpenEye OEToolkits 1.7.2	C(C(CS)N)C(=O)O
CACTVS 3.370	N[C@@H](CS)CC(O)=O

Name:

(3R)-3-amino-4-sulfanylbutanoic acid

DrugBank:

DB02780

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).