BioLiP

PDB

BioLiP

PDB CCD ID:

BB9

Number of entries in BioLiP:

Chemical formula:

C3 H5 N O2 S

InChI:

InChI=1S/C3H5NO2S/c4-2(1-7)3(5)6/h1,7H,4H2,(H,5,6)/b2-1-

InChIKey:

SJJZZRKMMDXVIJ-UPHRSURJSA-N

SMILES:

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

Name:

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

ZINC:

ZINC000103533686

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).