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BioLiP

PDB CCD ID: U32
Number of entries in BioLiP: 1
Chemical formula: C12 H15 N3 O2 S2
InChI: InChI=1S/C12H15N3O2S2/c1-8(2)11-7-14-12(18-11)15-9-3-5-10(6-4-9)19(13,16)17/h3-8H,1-2H3,(H,14,15)(H2,13,16,17)
InChIKey: LPQUJAANWFHCJV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341CC(C)c1sc(Nc2ccc(cc2)[S](N)(=O)=O)nc1
OpenEye OEToolkits 1.5.0CC(C)c1cnc(s1)Nc2ccc(cc2)S(=O)(=O)N
ACDLabs 10.04O=S(=O)(N)c2ccc(Nc1ncc(s1)C(C)C)cc2
Name:4-[(5-ISOPROPYL-1,3-THIAZOL-2-YL)AMINO]BENZENESULFONAMIDE;
PNU-230032
DrugBank: DB08673
ZINC: ZINC000016051832
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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