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BioLiP

PDB CCD ID: TIC
Number of entries in BioLiP: 1
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:
SoftwareSMILES
ACDLabs 12.01Clc1ccccc1CN3CCc2sccc2C3
OpenEye OEToolkits 1.7.0c1ccc(c(c1)C[N@]2CCc3c(ccs3)C2)Cl
CACTVS 3.370Clc1ccccc1CN2CCc3sccc3C2
OpenEye OEToolkits 1.7.0c1ccc(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, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • 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).

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