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BioLiP

PDB CCD ID: 75Y
Number of entries in BioLiP: 1
Chemical formula: C12 H11 N3 O5 S
InChI: InChI=1S/C12H11N3O5S/c13-21(19,20)9-3-1-8(2-4-9)14-10(16)7-15-11(17)5-6-12(15)18/h1-6H,7H2,(H,14,16)(H2,13,19,20)
InChIKey: UXHVNEWXEIRLPY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385N[S](=O)(=O)c1ccc(NC(=O)CN2C(=O)C=CC2=O)cc1
OpenEye OEToolkits 2.0.5c1cc(ccc1NC(=O)CN2C(=O)C=CC2=O)S(=O)(=O)N
Name:2-[2,5-bis(oxidanylidene)pyrrol-1-yl]-~{N}-(4-sulfamoylphenyl)ethanamide
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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