BioLiP

PDB

BioLiP

PDB CCD ID:

M58

Number of entries in BioLiP:

Chemical formula:

C6 H8 N2 S

InChI:

InChI=1S/C6H8N2S/c7-6(9)5-2-1-3-8-4-5/h1-4,6,9H,7H2/t6-/m1/s1

InChIKey:

FNWRZJSHJIXOOI-ZCFIWIBFSA-N

SMILES:

Software	SMILES
CACTVS 3.385	N[C@H](S)c1cccnc1
OpenEye OEToolkits 2.0.7	c1cc(cnc1)C(N)S
OpenEye OEToolkits 2.0.7	c1cc(cnc1)[C@H](N)S
CACTVS 3.385	N[CH](S)c1cccnc1

Name:

(~{R})-azanyl(pyridin-3-yl)methanethiol

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).