BioLiP

PDB

BioLiP

PDB CCD ID:

9LX

Number of entries in BioLiP:

Chemical formula:

C21 H18 F N3 O2

InChI:

InChI=1S/C21H18FN3O2/c1-27-16-9-6-14(7-10-16)12-23-21-20(17-4-2-3-5-18(17)26)24-19-11-8-15(22)13-25(19)21/h2-11,13,23,26H,12H2,1H3

InChIKey:

QBNMSKFVSPKNSV-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	COc1ccc(cc1)CNc2c(nc3n2cc(cc3)F)c4ccccc4O
CACTVS 3.385	COc1ccc(CNc2n3cc(F)ccc3nc2c4ccccc4O)cc1
ACDLabs 12.01	c2(nc1n(cc(cc1)F)c2NCc3ccc(OC)cc3)c4ccccc4O

Name:

2-(6-fluoro-3-{[(4-methoxyphenyl)methyl]amino}imidazo[1,2-a]pyridin-2-yl)phenol

ChEMBL:

CHEMBL3780099

ZINC:

ZINC000219244716

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).