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BioLiP

PDB CCD ID: VVM
Number of entries in BioLiP: 1
Chemical formula: C12 H12 N2 O2 S
InChI: InChI=1S/C12H12N2O2S/c13-10-6-8-12(9-7-10)17(15,16)14-11-4-2-1-3-5-11/h1-9,14H,13H2
InChIKey: YBUXKQSCKVQATK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(cc1)NS(=O)(=O)c2ccc(cc2)N
ACDLabs 12.01Nc1ccc(cc1)S(=O)(=O)Nc2ccccc2
CACTVS 3.385Nc1ccc(cc1)[S](=O)(=O)Nc2ccccc2
Name:4-amino-N-phenylbenzene-1-sulfonamide
ChEMBL: CHEMBL359839
ZINC: ZINC000000141883
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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