SEQ2FUN

BioLiP

PDB CCD ID: A1ISA
Number of entries in BioLiP: 1
Chemical formula: C22 H20 N4 O2
InChI: InChI=1S/C22H20N4O2/c1-3-15-13-20(27)26(16-9-5-4-6-10-16)21-17(15)14-23-22(25-21)24-18-11-7-8-12-19(18)28-2/h4-14H,3H2,1-2H3,(H,23,24,25)
InChIKey: HPXXVKFIRJYEBH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCC1=CC(=O)N(c2c1cnc(n2)Nc3ccccc3OC)c4ccccc4
CACTVS 3.385CCC1=CC(=O)N(c2ccccc2)c3nc(Nc4ccccc4OC)ncc13
Name:5-ethyl-2-[(2-methoxyphenyl)amino]-8-phenyl-pyrido[2,3-d]pyrimidin-7-one
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).