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BioLiP

PDB CCD ID: OKZ
Number of entries in BioLiP: 1
Chemical formula: C13 H14 N2 O4 S
InChI: InChI=1S/C13H14N2O4S/c1-2-9-14-20(18,19)11-5-3-10(4-6-11)15-12(16)7-8-13(15)17/h3-8,14H,2,9H2,1H3
InChIKey: CDNAYYFPRZRBSM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CCCN[S](=O)(=O)c1ccc(cc1)N2C(=O)C=CC2=O
OpenEye OEToolkits 2.0.7CCCNS(=O)(=O)c1ccc(cc1)N2C(=O)C=CC2=O
Name:4-[2,5-bis(oxidanylidene)pyrrol-1-yl]-~{N}-propyl-benzenesulfonamide
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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