BioLiP

PDB

BioLiP

PDB CCD ID:

A1ELY

Number of entries in BioLiP:

Chemical formula:

C18 H14 N4 O2

InChI:

InChI=1S/C18H14N4O2/c1-2-4-14(5-3-1)20-17-15-8-11-23-16(15)18(22-21-17)24-12-13-6-9-19-10-7-13/h1-11H,12H2,(H,20,21)

InChIKey:

OJNIAGZYSLXKIL-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	C(Oc1nnc(Nc2ccccc2)c3ccoc13)c4ccncc4
OpenEye OEToolkits 2.0.7	c1ccc(cc1)Nc2c3ccoc3c(nn2)OCc4ccncc4

Name:

N-phenyl-7-(pyridin-4-ylmethoxy)furo[2,3-d]pyridazin-4-amine

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).