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BioLiP

PDB CCD ID: TUO
Number of entries in BioLiP: 1
Chemical formula: C15 H14 N4 O3 S
InChI: InChI=1S/C15H14N4O3S/c16-19-15(20)14-13(9-4-2-1-3-5-9)11-8-10(23(17,21)22)6-7-12(11)18-14/h1-8,18H,16H2,(H,19,20)(H2,17,21,22)
InChIKey: PPDLAUCFAOODER-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccc(cc1)c2c3cc(ccc3[nH]c2C(=O)NN)S(=O)(=O)N
ACDLabs 10.04O=S(=O)(c1cc2c(cc1)nc(c2c3ccccc3)C(=O)NN)N
CACTVS 3.341NNC(=O)c1[nH]c2ccc(cc2c1c3ccccc3)[S](N)(=O)=O
Name:2-(hydrazinocarbonyl)-3-phenyl-1H-indole-5-sulfonamide
ChEMBL: CHEMBL262628
DrugBank: DB08659
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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