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BioLiP

PDB CCD ID: 6HV
Number of entries in BioLiP: 1
Chemical formula: C18 H15 N O S
InChI: InChI=1S/C18H15NOS/c1-12-5-3-4-6-15(12)16-11-14(8-7-13(16)2)17(20)18-19-9-10-21-18/h3-11H,1-2H3
InChIKey: WEOQMVQEKRDUIM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cc1ccccc1c2cc(ccc2C)C(=O)c3sccn3
ACDLabs 12.01Cc1ccccc1c3c(ccc(C(=O)c2nccs2)c3)C
OpenEye OEToolkits 2.0.4Cc1ccccc1c2cc(ccc2C)C(=O)c3nccs3
Name:(2',6-dimethyl[1,1'-biphenyl]-3-yl)(1,3-thiazol-2-yl)methanone
ChEMBL: CHEMBL3819446
ZINC: ZINC000584904897
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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