BioLiP

PDB

BioLiP

PDB CCD ID:

A1IHH

Number of entries in BioLiP:

Chemical formula:

C21 H17 N3 O2

InChI:

InChI=1S/C21H17N3O2/c25-21(19-15-22-20-8-4-5-13-24(19)20)23-14-16-9-11-18(12-10-16)26-17-6-2-1-3-7-17/h1-13,15H,14H2,(H,23,25)

InChIKey:

KREXXCYAXOASHX-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc(cc1)Oc2ccc(cc2)CNC(=O)c3cnc4n3cccc4
CACTVS 3.385	O=C(NCc1ccc(Oc2ccccc2)cc1)c3cnc4ccccn34

Name:

~{N}-[(4-phenoxyphenyl)methyl]imidazo[1,2-a]pyridine-3-carboxamide

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).