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BioLiP

PDB CCD ID: 27Z
Number of entries in BioLiP: 1
Chemical formula: C10 H11 N5 O3 S2
InChI: InChI=1S/C10H11N5O3S2/c11-8-7(9(12)16)19-10(15-8)14-5-1-3-6(4-2-5)20(13,17)18/h1-4H,11H2,(H2,12,16)(H,14,15)(H2,13,17,18)
InChIKey: NYEMVPGQXLAKEH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370NC(=O)c1sc(Nc2ccc(cc2)[S](N)(=O)=O)nc1N
OpenEye OEToolkits 1.7.2c1cc(ccc1Nc2nc(c(s2)C(=O)N)N)S(=O)(=O)N
ACDLabs 12.01O=S(=O)(N)c2ccc(Nc1nc(c(s1)C(=O)N)N)cc2
Name:4-amino-2-[(4-sulfamoylphenyl)amino]-1,3-thiazole-5-carboxamide
ChEMBL: CHEMBL2377813
ZINC: ZINC000095920772
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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