BioLiP

PDB

BioLiP

PDB CCD ID:

A1JLU

Number of entries in BioLiP:

Chemical formula:

C26 H28 N6 O

InChI:

InChI=1S/C26H28N6O/c1-5-19-17-24(33)32(22-9-7-6-8-10-22)25-23(19)18-27-26(29-25)28-20-11-13-21(14-12-20)31(4)16-15-30(2)3/h5-14,17-18H,1,15-16H2,2-4H3,(H,27,28,29)

InChIKey:

ULJXSBARTUIQRJ-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CN(C)CCN(C)c1ccc(cc1)Nc2ncc3c(n2)N(C(=O)C=C3C=C)c4ccccc4
CACTVS 3.385	CN(C)CCN(C)c1ccc(Nc2ncc3C(=CC(=O)N(c4ccccc4)c3n2)C=C)cc1

Name:

2-[[4-[2-(dimethylamino)ethyl-methyl-amino]phenyl]amino]-5-ethenyl-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).