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BioLiP

PDB CCD ID: 6KT
Number of entries in BioLiP: 9
Chemical formula: C8 H7 N3 O S
InChI: InChI=1S/C8H7N3OS/c9-7(12)4-1-2-5-6(3-4)13-8(10)11-5/h1-3H,(H2,9,12)(H2,10,11)
InChIKey: HPRLVAQRFQEQPF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.4c1cc2c(cc1C(=O)N)sc(n2)N
CACTVS 3.385NC(=O)c1ccc2nc(N)sc2c1
ACDLabs 12.01c2c1c(nc(N)s1)ccc2C(=O)N
Name:2-amino-1,3-benzothiazole-6-carboxamide
ChEMBL: CHEMBL5271824
ZINC: ZINC000000246899
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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