BioLiP

PDB

BioLiP

PDB CCD ID:

A1IR8

Number of entries in BioLiP:

Chemical formula:

C26 H30 N6 O

InChI:

InChI=1S/C26H30N6O/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/h6-14,17-18H,5,15-16H2,1-4H3,(H,27,28,29)

InChIKey:

HEAICLUQPDPZTR-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CCC1=CC(=O)N(c2c1cnc(n2)Nc3ccc(cc3)N(C)CCN(C)C)c4ccccc4
CACTVS 3.385	CCC1=CC(=O)N(c2ccccc2)c3nc(Nc4ccc(cc4)N(C)CCN(C)C)ncc13

Name:

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