BioLiP

PDB

BioLiP

PDB CCD ID:

FV4

Number of entries in BioLiP:

Chemical formula:

C20 H22 Cl F N4

InChI:

InChI=1S/C20H22ClFN4/c1-13-9-15(10-14(2)19(13)22)12-26-18-11-16(21)3-4-17(18)24-20(26)25-7-5-23-6-8-25/h3-4,9-11,23H,5-8,12H2,1-2H3

InChIKey:

HQRYJQRNCCMWFK-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	Cc1cc(cc(c1F)C)Cn2c3cc(ccc3nc2N4CCNCC4)Cl
ACDLabs 12.01	n3c1ccc(cc1n(Cc2cc(c(c(C)c2)F)C)c3N4CCNCC4)Cl
CACTVS 3.385	Cc1cc(Cn2c3cc(Cl)ccc3nc2N4CCNCC4)cc(C)c1F

Name:

6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(piperazin-1-yl)-1H-benzimidazole

ChEMBL:

CHEMBL4218552

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).