BioLiP

PDB

BioLiP

PDB CCD ID:

MJV

Number of entries in BioLiP:

Chemical formula:

C21 H22 Cl F N4 O2

InChI:

InChI=1S/C21H22ClFN4O2/c22-15-3-6-19-18(13-15)25-21(29)27(19)17-7-10-26(11-8-17)12-9-24-20(28)14-1-4-16(23)5-2-14/h1-6,13,17H,7-12H2,(H,24,28)(H,25,29)

InChIKey:

NBHPRWLFLUBAIE-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc(ccc1C(=O)NCCN2CCC(CC2)N3c4ccc(cc4NC3=O)Cl)F
CACTVS 3.385	Fc1ccc(cc1)C(=O)NCCN2CCC(CC2)N3C(=O)Nc4cc(Cl)ccc34
ACDLabs 12.01	c4c3NC(=O)N(C1CCN(CC1)CCNC(=O)c2ccc(cc2)F)c3ccc4Cl

Name:

N-{2-[4-(5-chloro-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)piperidin-1-yl]ethyl}-4-fluorobenzamide;
Halopemide

ChEMBL:

CHEMBL245621

ZINC:

ZINC000000537818

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).