BioLiP

PDB

BioLiP

PDB CCD ID:

A1IR9

Number of entries in BioLiP:

Chemical formula:

C24 H26 N6 O

InChI:

InChI=1S/C24H26N6O/c1-28(2)15-16-29(3)20-12-10-19(11-13-20)26-24-25-17-18-9-14-22(31)30(23(18)27-24)21-7-5-4-6-8-21/h4-14,17H,15-16H2,1-3H3,(H,25,26,27)

InChIKey:

VJLAERWTEIKYGL-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CN(C)CCN(C)c1ccc(cc1)Nc2ncc3c(n2)N(C(=O)C=C3)c4ccccc4
CACTVS 3.385	CN(C)CCN(C)c1ccc(Nc2ncc3C=CC(=O)N(c4ccccc4)c3n2)cc1

Name:

2-[[4-[2-(dimethylamino)ethyl-methyl-amino]phenyl]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).