BioLiP

PDB

BioLiP

PDB CCD ID:

FLW

Number of entries in BioLiP:

Chemical formula:

C19 H20 F2 N4 O4

InChI:

InChI=1S/C19H20F2N4O4/c1-25-17-11(10-22-19(24-17)23-13(4-6-26)5-7-27)8-16(18(25)28)29-15-3-2-12(20)9-14(15)21/h2-3,8-10,13,26-27H,4-7H2,1H3,(H,22,23,24)

InChIKey:

JYYLVUFNAHSSFE-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.341	CN1C(=O)C(=Cc2cnc(NC(CCO)CCO)nc12)Oc3ccc(F)cc3F
OpenEye OEToolkits 1.5.0	CN1c2c(cnc(n2)NC(CCO)CCO)C=C(C1=O)Oc3ccc(cc3F)F
ACDLabs 10.04	Fc3ccc(OC2=Cc1c(nc(nc1)NC(CCO)CCO)N(C2=O)C)c(F)c3

Name:

6-(2,4-difluorophenoxy)-2-{[3-hydroxy-1-(2-hydroxyethyl)propyl]amino}-8-methylpyrido[2,3-d]pyrimidin-7(8H)-one

ChEMBL:

CHEMBL1090089

ZINC:

ZINC000030691792

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).