BioLiP

PDB

BioLiP

PDB CCD ID:

W1W

Number of entries in BioLiP:

Chemical formula:

C10 H9 N3 S

InChI:

InChI=1S/C10H9N3S/c11-8-4-5-10(13-7-8)14-9-3-1-2-6-12-9/h1-7H,11H2

InChIKey:

XWNFGZLXUDSFQX-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	Nc1cnc(Sc2ncccc2)cc1
CACTVS 3.385	Nc1ccc(Sc2ccccn2)nc1
OpenEye OEToolkits 2.0.7	c1ccnc(c1)Sc2ccc(cn2)N

Name:

6-[(pyridin-2-yl)sulfanyl]pyridin-3-amine

ZINC:

ZINC000000132758

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).