BioLiP

PDB

BioLiP

PDB CCD ID:

A4N

Number of entries in BioLiP:

Chemical formula:

C14 H14 Cl N

InChI:

InChI=1S/C14H14ClN/c1-10-4-2-3-5-12(10)13-7-6-11(9-16)8-14(13)15/h2-8H,9,16H2,1H3

InChIKey:

KEDHDUMTTSHKCU-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	Cc1ccccc1c2ccc(cc2Cl)CN
CACTVS 3.385	Cc1ccccc1c2ccc(CN)cc2Cl

Name:

[3-chloranyl-4-(2-methylphenyl)phenyl]methanamine

ChEMBL:

CHEMBL4227626

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).