SEQ2FUN

BioLiP

PDB CCD ID: 6UM
Number of entries in BioLiP: 1
Chemical formula: C17 H15 N5 O
InChI: InChI=1S/C17H15N5O/c1-12-19-11-14(16(20-12)13-7-3-2-4-8-13)21-17(23)22-15-9-5-6-10-18-15/h2-11H,1H3,(H2,18,21,22,23)
InChIKey: NWPAIRZLGKDVNX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cc1ncc(NC(=O)Nc2ccccn2)c(n1)c3ccccc3
OpenEye OEToolkits 2.0.5Cc1ncc(c(n1)c2ccccc2)NC(=O)Nc3ccccn3
Name:1-(2-methyl-4-phenyl-pyrimidin-5-yl)-3-pyridin-2-yl-urea
ChEMBL: CHEMBL4443139
ZINC: ZINC000584646139
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).