BioLiP

PDB

BioLiP

PDB CCD ID:

TIC

Number of entries in BioLiP:

Chemical formula:

C14 H14 Cl N S

InChI:

InChI=1S/C14H14ClNS/c15-13-4-2-1-3-11(13)9-16-7-5-14-12(10-16)6-8-17-14/h1-4,6,8H,5,7,9-10H2

InChIKey:

PHWBOXQYWZNQIN-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	Clc1ccccc1CN3CCc2sccc2C3
OpenEye OEToolkits 1.7.0	c1ccc(c(c1)C[N@]2CCc3c(ccs3)C2)Cl
CACTVS 3.370	Clc1ccccc1CN2CCc3sccc3C2
OpenEye OEToolkits 1.7.0	c1ccc(c(c1)CN2CCc3c(ccs3)C2)Cl

Name:

ticlopidine;
5-(2-chlorobenzyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine

ChEMBL:

CHEMBL833

DrugBank:

DB00208

ZINC:

ZINC000019594599

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).