SEQ2FUN

BioLiP

PDB CCD ID: 6UJ
Number of entries in BioLiP: 1
Chemical formula: C22 H18 N4 O
InChI: InChI=1S/C22H18N4O/c1-15-23-14-20(21(24-15)17-9-3-2-4-10-17)26-22(27)25-19-13-7-11-16-8-5-6-12-18(16)19/h2-14H,1H3,(H2,25,26,27)
InChIKey: QTGKTWMSCVUXHK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.5Cc1ncc(c(n1)c2ccccc2)NC(=O)Nc3cccc4c3cccc4
CACTVS 3.385Cc1ncc(NC(=O)Nc2cccc3ccccc23)c(n1)c4ccccc4
Name:1-(2-methyl-4-phenyl-pyrimidin-5-yl)-3-naphthalen-1-yl-urea
ChEMBL: CHEMBL4584074
ZINC: ZINC000584646195
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).