BioLiP

PDB

BioLiP

PDB CCD ID:

A1IZV

Number of entries in BioLiP:

Chemical formula:

C18 H13 F N4 O4

InChI:

InChI=1S/C18H13FN4O4/c1-9-15(23(2)18(25)22-16(9)24)14-12(19)7-10(8-21-14)27-17-11-4-6-26-13(11)3-5-20-17/h3-8H,1-2H3,(H,22,24,25)

InChIKey:

WKGHWLZQBUXSNO-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CC1=C(N(C(=O)NC1=O)C)c2c(cc(cn2)Oc3c4ccoc4ccn3)F
CACTVS 3.385	CN1C(=O)NC(=O)C(=C1c2ncc(Oc3nccc4occc34)cc2F)C

Name:

6-(3-fluoranyl-5-furo[3,2-c]pyridin-4-yloxy-pyridin-2-yl)-1,5-dimethyl-pyrimidine-2,4-dione

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).