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BioLiP

PDB CCD ID: JTT
Number of entries in BioLiP: 1
Chemical formula: C16 H14 N2 O S
InChI: InChI=1S/C16H14N2OS/c1-10-15(20-11(2)17-10)16(19)18-14-8-7-12-5-3-4-6-13(12)9-14/h3-9H,1-2H3,(H,18,19)
InChIKey: CXTLAWSTWSPWGT-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C(c1sc(nc1C)C)Nc3cc2ccccc2cc3
OpenEye OEToolkits 1.7.6Cc1c(sc(n1)C)C(=O)Nc2ccc3ccccc3c2
CACTVS 3.370Cc1sc(C(=O)Nc2ccc3ccccc3c2)c(C)n1
Name:2,4-dimethyl-N-(naphthalen-2-yl)-1,3-thiazole-5-carboxamide
ZINC: ZINC000014429132
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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