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BioLiP

PDB CCD ID: EWT
Number of entries in BioLiP: 4
Chemical formula: C15 H11 Cl2 N3 O S
InChI: InChI=1S/C15H11Cl2N3OS/c16-10-3-1-8(5-11(10)17)7-19-14(21)9-2-4-12-13(6-9)22-15(18)20-12/h1-6H,7H2,(H2,18,20)(H,19,21)
InChIKey: JOBYYAUGFMYSBN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1cc(c(cc1CNC(=O)c2ccc3c(c2)sc(n3)N)Cl)Cl
CACTVS 3.385Nc1sc2cc(ccc2n1)C(=O)NCc3ccc(Cl)c(Cl)c3
Name:2-azanyl-~{N}-[(3,4-dichlorophenyl)methyl]-1,3-benzothiazole-6-carboxamide
ChEMBL: CHEMBL4458858
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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