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BioLiP

PDB CCD ID: IV0
Number of entries in BioLiP: 4
Chemical formula: C22 H21 N5 O2
InChI: InChI=1S/C22H21N5O2/c1-16-19(25-21(29-16)17-8-4-2-5-9-17)12-14-23-22(28)26-20-13-15-24-27(20)18-10-6-3-7-11-18/h2-11,13,15H,12,14H2,1H3,(H2,23,26,28)
InChIKey: AMILEAAZPFQVCZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1c(nc(o1)c2ccccc2)CCNC(=O)Nc3ccnn3c4ccccc4
CACTVS 3.385Cc1oc(nc1CCNC(=O)Nc2ccnn2c3ccccc3)c4ccccc4
ACDLabs 12.01Cc1oc(nc1CCNC(=O)Nc1ccnn1c1ccccc1)c1ccccc1
Name:N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-N'-(1-phenyl-1H-pyrazol-5-yl)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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