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BioLiP

PDB CCD ID: N84
Number of entries in BioLiP: 4
Chemical formula: C13 H14 N4 O4 S
InChI: InChI=1S/C13H14N4O4S/c14-22(20,21)10-1-2-12(18)11(7-10)17-13(19)16-8-9-3-5-15-6-4-9/h1-7,18H,8H2,(H2,14,20,21)(H2,16,17,19)
InChIKey: QHMKXYXSZRKDAT-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01c1cc(cc(c1O)NC(NCc2ccncc2)=O)S(N)(=O)=O
OpenEye OEToolkits 2.0.7c1cc(c(cc1S(=O)(=O)N)NC(=O)NCc2ccncc2)O
CACTVS 3.385N[S](=O)(=O)c1ccc(O)c(NC(=O)NCc2ccncc2)c1
Name:4-hydroxy-3-({[(pyridin-4-yl)methyl]carbamoyl}amino)benzene-1-sulfonamide
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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