BioLiP

PDB

BioLiP

PDB CCD ID:

BB6

Number of entries in BioLiP:

Chemical formula:

C4 H7 N O2 S

InChI:

InChI=1S/C4H7NO2S/c1-2(8)3(5)4(6)7/h8H,5H2,1H3,(H,6,7)/b3-2-

InChIKey:

UDVAMSWYAZEHGC-IHWYPQMZSA-N

SMILES:

Software	SMILES
CACTVS 3.352	CC(/S)=C(/N)C(O)=O
ACDLabs 10.04	O=C(O)/C(N)=C(/S)C
OpenEye OEToolkits 1.6.1	C/C(=C(\C(=O)O)/N)/S
CACTVS 3.352	CC(S)=C(N)C(O)=O
OpenEye OEToolkits 1.6.1	CC(=C(C(=O)O)N)S

Name:

(2Z)-2-amino-3-sulfanylbut-2-enoic acid

ZINC:

ZINC000103533667

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).