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BioLiP

PDB CCD ID: N7S
Number of entries in BioLiP: 4
Chemical formula: C11 H17 N3 O5 S
InChI: InChI=1S/C11H17N3O5S/c12-20(18,19)8-3-4-10(16)9(7-8)14-11(17)13-5-1-2-6-15/h3-4,7,15-16H,1-2,5-6H2,(H2,12,18,19)(H2,13,14,17)
InChIKey: YIESVFNRTQHBOZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385N[S](=O)(=O)c1ccc(O)c(NC(=O)NCCCCO)c1
ACDLabs 12.01c1cc(cc(c1O)NC(NCCCCO)=O)S(N)(=O)=O
OpenEye OEToolkits 2.0.7c1cc(c(cc1S(=O)(=O)N)NC(=O)NCCCCO)O
Name:4-hydroxy-3-{[(4-hydroxybutyl)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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