BioLiP

PDB

BioLiP

PDB CCD ID:

0KD

Number of entries in BioLiP:

Chemical formula:

C16 H11 N5 O S

InChI:

InChI=1S/C16H11N5OS/c22-16(19-11-2-1-5-17-8-11)12-3-6-18-15-13(12)20-14(21-15)10-4-7-23-9-10/h1-9H,(H,19,22)(H,18,20,21)

InChIKey:

NMYRPXBRICOTPO-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.370	O=C(Nc1cccnc1)c2ccnc3[nH]c(nc23)c4cscc4
ACDLabs 12.01	O=C(Nc1cccnc1)c2c3nc(nc3ncc2)c4ccsc4
OpenEye OEToolkits 1.7.6	c1cc(cnc1)NC(=O)c2ccnc3c2nc([nH]3)c4ccsc4

Name:

N-(pyridin-3-yl)-2-(thiophen-3-yl)-3H-imidazo[4,5-b]pyridine-7-carboxamide

ChEMBL:

CHEMBL2048674

ZINC:

ZINC000084655552

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).