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BioLiP

PDB CCD ID: 47F
Number of entries in BioLiP: 2
Chemical formula: C17 H15 N3 O S
InChI: InChI=1S/C17H15N3OS/c1-12(21)18-15-9-7-13(8-10-15)16-11-22-17(20-16)19-14-5-3-2-4-6-14/h2-11H,1H3,(H,18,21)(H,19,20)
InChIKey: YGMJBEOTQXTTRR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CC(=O)Nc1ccc(cc1)c2csc(Nc3ccccc3)n2
ACDLabs 12.01CC(=O)Nc1ccc(cc1)c1csc(Nc2ccccc2)n1
OpenEye OEToolkits 2.0.7CC(=O)Nc1ccc(cc1)c2csc(n2)Nc3ccccc3
Name:N-[4-(2-anilino-1,3-thiazol-4-yl)phenyl]acetamide
ZINC: ZINC000000544728
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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