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BioLiP

PDB CCD ID: 654
Number of entries in BioLiP: 2
Chemical formula: C15 H14 N2 S
InChI: InChI=1S/C15H14N2S/c1-12-4-6-13(7-5-12)9-17-10-14(16-11-17)15-3-2-8-18-15/h2-8,10-11H,9H2,1H3
InChIKey: UMOFOLLUKPBVQG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0Cc1ccc(cc1)Cn2cc(nc2)c3cccs3
ACDLabs 10.04n1cn(cc1c2sccc2)Cc3ccc(cc3)C
CACTVS 3.341Cc1ccc(Cn2cnc(c2)c3sccc3)cc1
Name:4-(2-THIENYL)-1-(4-METHYLBENZYL)-1H-IMIDAZOLE
ChEMBL: CHEMBL66526
DrugBank: DB03030
ZINC: ZINC000012502986
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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