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BioLiP

PDB CCD ID: 6HW
Number of entries in BioLiP: 1
Chemical formula: C17 H16 N2 S
InChI: InChI=1S/C17H16N2S/c1-12-5-3-4-6-15(12)16-11-14(8-7-13(16)2)19-17-18-9-10-20-17/h3-11H,1-2H3,(H,18,19)
InChIKey: OZBQQKIXAODXQL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.4Cc1ccccc1c2cc(ccc2C)Nc3nccs3
CACTVS 3.385Cc1ccccc1c2cc(Nc3sccn3)ccc2C
ACDLabs 12.01Cc1ccccc1c2c(ccc(c2)Nc3nccs3)C
Name:N-(2',6-dimethyl[1,1'-biphenyl]-3-yl)-1,3-thiazol-2-amine
ChEMBL: CHEMBL3818591
ZINC: ZINC000584904800
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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