BioLiP

PDB

BioLiP

PDB CCD ID:

FNI

Number of entries in BioLiP:

Chemical formula:

C22 H15 N5 O3

InChI:

InChI=1S/C22H15N5O3/c28-17-3-1-2-13-10-14(4-5-15(13)17)26-20-16-6-8-23-11-18(16)30-21(20)22(29)27-19-7-9-24-12-25-19/h1-12,26,28H,(H,24,25,27,29)

InChIKey:

AHLQDZCJPCLDJM-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.0	c1cc2cc(ccc2c(c1)O)Nc3c4ccncc4oc3C(=O)Nc5ccncn5
ACDLabs 12.01	O=C(Nc1ncncc1)c3oc2cnccc2c3Nc5cc4cccc(O)c4cc5
CACTVS 3.370	Oc1cccc2cc(Nc3c(oc4cnccc34)C(=O)Nc5ccncn5)ccc12

Name:

3-[(5-hydroxynaphthalen-2-yl)amino]-N-(pyrimidin-4-yl)furo[2,3-c]pyridine-2-carboxamide

ChEMBL:

CHEMBL1614960

ZINC:

ZINC000034891276

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).