BioLiP

PDB

BioLiP

PDB CCD ID:

A1AX5

Number of entries in BioLiP:

Chemical formula:

C9 H7 F N2

InChI:

InChI=1S/C9H7FN2/c10-8-2-1-3-9(6-8)12-5-4-11-7-12/h1-7H

InChIKey:

SQJDRLQZCRNMQU-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc(cc(c1)F)n2ccnc2
CACTVS 3.385	Fc1cccc(c1)n2ccnc2
ACDLabs 12.01	Fc1cccc(c1)n1ccnc1

Name:

(1P)-1-(3-fluorophenyl)-1H-imidazole

ChEMBL:

CHEMBL1650270

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).