BioLiP

PDB

BioLiP

PDB CCD ID:

RKN

Number of entries in BioLiP:

Chemical formula:

C14 H15 Cl N

InChI:

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

InChIKey:

MDDYEXZTZUUWBH-UHFFFAOYSA-O

SMILES:

Software	SMILES
CACTVS 3.385	C[NH2+]Cc1ccc(c(Cl)c1)c2ccccc2
OpenEye OEToolkits 2.0.6	C[NH2+]Cc1ccc(c(c1)Cl)c2ccccc2

Name:

(3-chloranyl-4-phenyl-phenyl)methyl-methyl-azanium

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).