BioLiP

PDB

BioLiP

PDB CCD ID:

0DJ

Number of entries in BioLiP:

Chemical formula:

C14 H12 N4 O2

InChI:

InChI=1S/C14H12N4O2/c1-18-11-6-10(7-16-13(11)17-14(18)20)8-3-2-4-9(5-8)12(15)19/h2-7H,1H3,(H2,15,19)(H,16,17,20)

InChIKey:

ROERWVFKCQTDPS-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.370	CN1C(=O)Nc2ncc(cc12)c3cccc(c3)C(N)=O
ACDLabs 12.01	O=C(N)c3cccc(c1cc2c(nc1)NC(=O)N2C)c3
OpenEye OEToolkits 1.7.6	CN1c2cc(cnc2NC1=O)c3cccc(c3)C(=O)N

Name:

3-(1-methyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-6-yl)benzamide

ChEMBL:

CHEMBL1956642

ZINC:

ZINC000073315797

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).