BioLiP

PDB

BioLiP

PDB CCD ID:

FLZ

Number of entries in BioLiP:

Chemical formula:

C19 H20 N4 O3

InChI:

InChI=1S/C19H20N4O3/c1-23-17-13(11-16(18(23)24)26-15-5-3-2-4-6-15)12-20-19(22-17)21-14-7-9-25-10-8-14/h2-6,11-12,14H,7-10H2,1H3,(H,20,21,22)

InChIKey:

MQCPQHIQHJWGCZ-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 10.04	O=C3N(c1nc(ncc1C=C3Oc2ccccc2)NC4CCOCC4)C
OpenEye OEToolkits 1.5.0	CN1c2c(cnc(n2)NC3CCOCC3)C=C(C1=O)Oc4ccccc4
CACTVS 3.341	CN1C(=O)C(=Cc2cnc(NC3CCOCC3)nc12)Oc4ccccc4

Name:

8-methyl-6-phenoxy-2-(tetrahydro-2H-pyran-4-ylamino)pyrido[2,3-d]pyrimidin-7(8H)-one

ChEMBL:

CHEMBL1232773

ZINC:

ZINC000058633214

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).