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BioLiP

PDB CCD ID: N71
Number of entries in BioLiP: 1
Chemical formula: C13 H15 N3 O4 S
InChI: InChI=1S/C13H15N3O4S/c1-10-9-12(16-20-10)15-13(17)14-7-8-21(18,19)11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H2,14,15,16,17)
InChIKey: XVQVTCYUFZRWGM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6Cc1cc(no1)NC(=O)NCCS(=O)(=O)c2ccccc2
CACTVS 3.385Cc1onc(NC(=O)NCC[S](=O)(=O)c2ccccc2)c1
ACDLabs 12.01N(CCS(c1ccccc1)(=O)=O)C(Nc2cc(C)on2)=O
Name:N-(5-methyl-1,2-oxazol-3-yl)-N'-[2-(phenylsulfonyl)ethyl]urea
ZINC: ZINC000056328503
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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