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BioLiP

PDB CCD ID: TMG
Number of entries in BioLiP: 3
Chemical formula: C10 H7 N3 S
InChI: InChI=1S/C10H7N3S/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-6H,(H,12,13)
InChIKey: WJCNZQLZVWNLKY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341[nH]1c2ccccc2nc1c3cscn3
ACDLabs 10.04n2c1c(cccc1)nc2c3ncsc3
OpenEye OEToolkits 1.5.0c1ccc2c(c1)[nH]c(n2)c3cscn3
Name:2-(1,3-THIAZOL-4-YL)-1H-BENZIMIDAZOLE
ChEMBL: CHEMBL625
DrugBank: DB00730
ZINC: ZINC000000073711
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).
  • 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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