BioLiP

PDB

BioLiP

PDB CCD ID:

GVP

Number of entries in BioLiP:

Chemical formula:

C20 H20 Cl N3

InChI:

InChI=1S/C20H20ClN3/c21-19-7-5-18(6-8-19)20(9-11-22-12-10-20)17-3-1-15(2-4-17)16-13-23-24-14-16/h1-8,13-14,22H,9-12H2,(H,23,24)

InChIKey:

LZMOSYUFVYJEPY-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 10.04	Clc1ccc(cc1)C4(c3ccc(c2cnnc2)cc3)CCNCC4
OpenEye OEToolkits 1.5.0	c1cc(ccc1c2c[nH]nc2)C3(CCNCC3)c4ccc(cc4)Cl
CACTVS 3.341	Clc1ccc(cc1)C2(CCNCC2)c3ccc(cc3)c4c[nH]nc4

Name:

4-(4-CHLOROPHENYL)-4-[4-(1H-PYRAZOL-4-YL)PHENYL]PIPERIDINE

ChEMBL:

CHEMBL428462

DrugBank:

DB07859

ZINC:

ZINC000014961002

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).