BioLiP

PDB

BioLiP

PDB CCD ID:

8HZ

Number of entries in BioLiP:

Chemical formula:

C21 H19 N3 O

InChI:

InChI=1S/C21H19N3O/c1-14-5-9-17(10-6-14)22-21-19(16-7-11-18(25)12-8-16)23-20-15(2)4-3-13-24(20)21/h3-13,22,25H,1-2H3

InChIKey:

KPRSGDIGCGTRAS-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	Cc1ccc(cc1)Nc2c(nc3n2cccc3C)c4ccc(cc4)O
CACTVS 3.385	Cc1ccc(Nc2n3cccc(C)c3nc2c4ccc(O)cc4)cc1

Name:

4-[8-methyl-3-[(4-methylphenyl)amino]imidazo[1,2-a]pyridin-2-yl]phenol

ZINC:

ZINC000004921843

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).