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BioLiP

PDB CCD ID: N74
Number of entries in BioLiP: 1
Chemical formula: C15 H15 N5 O2
InChI: InChI=1S/C15H15N5O2/c1-11-7-14(19-22-11)18-15(21)17-13-8-16-20(10-13)9-12-5-3-2-4-6-12/h2-8,10H,9H2,1H3,(H2,17,18,19,21)
InChIKey: HPOHLKVNAQMNHB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6Cc1cc(no1)NC(=O)Nc2cnn(c2)Cc3ccccc3
CACTVS 3.385Cc1onc(NC(=O)Nc2cnn(Cc3ccccc3)c2)c1
ACDLabs 12.01N(c2cnn(Cc1ccccc1)c2)C(Nc3cc(C)on3)=O
Name:N-(1-benzyl-1H-pyrazol-4-yl)-N'-(5-methyl-1,2-oxazol-3-yl)urea
ZINC: ZINC000056343335
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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