BioLiP

PDB

BioLiP

PDB CCD ID:

GVQ

Number of entries in BioLiP:

Chemical formula:

C14 H14 Cl N

InChI:

InChI=1S/C14H14ClN/c15-13-8-6-12(7-9-13)14(10-16)11-4-2-1-3-5-11/h1-9,14H,10,16H2/t14-/m1/s1

InChIKey:

PNKKPFLBOWGVSF-CQSZACIVSA-N

SMILES:

Software	SMILES
CACTVS 3.341	NC[CH](c1ccccc1)c2ccc(Cl)cc2
OpenEye OEToolkits 1.5.0	c1ccc(cc1)[C@@H](CN)c2ccc(cc2)Cl
CACTVS 3.341	NC[C@H](c1ccccc1)c2ccc(Cl)cc2
ACDLabs 10.04	Clc1ccc(cc1)C(c2ccccc2)CN
OpenEye OEToolkits 1.5.0	c1ccc(cc1)C(CN)c2ccc(cc2)Cl

Name:

(2R)-2-(4-CHLOROPHENYL)-2-PHENYLETHANAMINE

DrugBank:

DB07860

ZINC:

ZINC000002576552

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).