BioLiP

PDB

BioLiP

PDB CCD ID:

BPW

Number of entries in BioLiP:

Chemical formula:

C9 H12 Cl N

InChI:

InChI=1S/C9H12ClN/c10-9-5-3-8(4-6-9)2-1-7-11/h3-6H,1-2,7,11H2

InChIKey:

RVLNDSYSQLMPRC-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	c1cc(ccc1CCCN)Cl
CACTVS 3.385	NCCCc1ccc(Cl)cc1

Name:

3-(4-chlorophenyl)propan-1-amine

ZINC:

ZINC000006658015

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).