BioLiP

PDB

BioLiP

PDB CCD ID:

OWO

Number of entries in BioLiP:

Chemical formula:

C18 H16 F N5

InChI:

InChI=1S/C18H16FN5/c1-10-15(11(2)24(3)23-10)14-6-4-5-12(16(14)19)13-7-8-20-18-17(13)21-9-22-18/h4-9H,1-3H3,(H,20,21,22)

InChIKey:

RPWDTXPUVLCSDW-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Cn1nc(C)c(c1C)c2cccc(c2F)c3ccnc4nc[nH]c34
OpenEye OEToolkits 2.0.7	Cc1c(c(n(n1)C)C)c2cccc(c2F)c3ccnc4c3[nH]cn4

Name:

7-[2-fluoranyl-3-(1,3,5-trimethylpyrazol-4-yl)phenyl]-1~{H}-imidazo[4,5-b]pyridine

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).