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BioLiP

PDB CCD ID: O5H
Number of entries in BioLiP: 2
Chemical formula: C16 H20 N4 O3 S
InChI: InChI=1S/C16H20N4O3S/c17-24(22,23)15-8-4-7-14(11-15)20-16(21)19-10-9-18-12-13-5-2-1-3-6-13/h1-8,11,18H,9-10,12H2,(H2,17,22,23)(H2,19,20,21)
InChIKey: OSBIIXRLYSASNI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(cc1)CNCCNC(=O)Nc2cccc(c2)S(=O)(=O)N
CACTVS 3.385N[S](=O)(=O)c1cccc(NC(=O)NCCNCc2ccccc2)c1
Name:1-[2-[(phenylmethyl)amino]ethyl]-3-(3-sulfamoylphenyl)urea
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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