BioLiP

PDB

BioLiP

PDB CCD ID:

A1I3G

Number of entries in BioLiP:

Chemical formula:

C9 H10 Cl N

InChI:

InChI=1S/C9H10ClN/c10-9-3-1-2-7-4-5-11-6-8(7)9/h1-3,11H,4-6H2

InChIKey:

HQSAGIBNZOOQQL-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc2c(c(c1)Cl)CNCC2
CACTVS 3.385	Clc1cccc2CCNCc12

Name:

8-chloranyl-1,2,3,4-tetrahydroisoquinoline

ChEMBL:

CHEMBL146188

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).