BioLiP

PDB

BioLiP

PDB CCD ID:

FPW

Number of entries in BioLiP:

Chemical formula:

C29 H24 N4 O5

InChI:

InChI=1S/C29H24N4O5/c1-36-25-15-22-23(16-26(25)37-2)30-13-12-24(22)38-20-10-11-27(31-17-20)32-28(34)21-9-6-14-33(29(21)35)18-19-7-4-3-5-8-19/h3-17H,18H2,1-2H3,(H,31,32,34)

InChIKey:

MIRAJAFOEINWJO-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.2	COc1cc2c(ccnc2cc1OC)Oc3ccc(nc3)NC(=O)C4=CC=CN(C4=O)Cc5ccccc5
CACTVS 3.370	COc1cc2nccc(Oc3ccc(NC(=O)C4=CC=CN(Cc5ccccc5)C4=O)nc3)c2cc1OC
ACDLabs 12.01	O=C(C1=CC=CN(C1=O)Cc2ccccc2)Nc5ncc(Oc3c4cc(OC)c(OC)cc4ncc3)cc5

Name:

1-benzyl-N-{5-[(6,7-dimethoxyquinolin-4-yl)oxy]pyridin-2-yl}-2-oxo-1,2-dihydropyridine-3-carboxamide

ChEMBL:

CHEMBL3125861

ZINC:

ZINC000087613159

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).