BioLiP

PDB

BioLiP

PDB CCD ID:

9E3

Number of entries in BioLiP:

Chemical formula:

C13 H10 F N3 O

InChI:

InChI=1S/C13H10FN3O/c14-12-7-17(8-16-12)6-9-3-4-11(18)13-10(9)2-1-5-15-13/h1-5,7-8,18H,6H2

InChIKey:

XHVDVFNHQJLOBV-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	c1cc2c(ccc(c2nc1)O)Cn3cc(nc3)F
CACTVS 3.385	Oc1ccc(Cn2cnc(F)c2)c3cccnc13

Name:

5-[(4-fluoranylimidazol-1-yl)methyl]quinolin-8-ol

ChEMBL:

CHEMBL4469389

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).