BioLiP

PDB

BioLiP

PDB CCD ID:

N90

Number of entries in BioLiP:

Chemical formula:

C26 H28 N2

InChI:

InChI=1S/C26H28N2/c1-4-11-23(12-5-1)13-10-18-27-19-21-28(22-20-27)26(24-14-6-2-7-15-24)25-16-8-3-9-17-25/h1-17,26H,18-22H2/b13-10+

InChIKey:

DERZBLKQOCDDDZ-JLHYYAGUSA-N

SMILES:

Software	SMILES
CACTVS 3.385	C1CN(CCN1CC=Cc2ccccc2)C(c3ccccc3)c4ccccc4
CACTVS 3.385	C1CN(CCN1C/C=C/c2ccccc2)C(c3ccccc3)c4ccccc4
OpenEye OEToolkits 2.0.7	c1ccc(cc1)/C=C/CN2CCN(CC2)C(c3ccccc3)c4ccccc4
OpenEye OEToolkits 2.0.7	c1ccc(cc1)C=CCN2CCN(CC2)C(c3ccccc3)c4ccccc4
ACDLabs 12.01	c1ccccc1C(c1ccccc1)N1CCN(CC1)C/C=C/c1ccccc1

Name:

1-(diphenylmethyl)-4-[(2E)-3-phenylprop-2-en-1-yl]piperazine;
Cinnarizine

ChEMBL:

CHEMBL43064

DrugBank:

DB00568

ZINC:

ZINC000019632891

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).