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BioLiP

PDB CCD ID: JS3
Number of entries in BioLiP: 1
Chemical formula: C15 H11 Cl N2 O S
InChI: InChI=1S/C15H11ClN2OS/c1-9-13(20-15(16)17-9)14(19)18-12-7-6-10-4-2-3-5-11(10)8-12/h2-8H,1H3,(H,18,19)
InChIKey: JUNYYPFCTFDDHR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370Cc1nc(Cl)sc1C(=O)Nc2ccc3ccccc3c2
OpenEye OEToolkits 1.7.6Cc1c(sc(n1)Cl)C(=O)Nc2ccc3ccccc3c2
ACDLabs 12.01O=C(c1sc(Cl)nc1C)Nc3cc2ccccc2cc3
Name:2-chloro-4-methyl-N-(naphthalen-2-yl)-1,3-thiazole-5-carboxamide
ChEMBL: CHEMBL1432218
ZINC: ZINC000000385250
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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