BioLiP

PDB

BioLiP

PDB CCD ID:

3B8

Number of entries in BioLiP:

Chemical formula:

C13 H8 F N3 O3

InChI:

InChI=1S/C13H8FN3O3/c14-5-1-2-9-6(3-5)10(18)7-4-8(12(16)19)11(15)17-13(7)20-9/h1-4H,(H2,15,17)(H2,16,19)

InChIKey:

GCHMLYYPYFXLQB-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	c1cc2c(cc1F)C(=O)c3cc(c(nc3O2)N)C(=O)N
ACDLabs 10.04	Fc2cc1C(=O)c3cc(c(nc3Oc1cc2)N)C(=O)N
CACTVS 3.341	NC(=O)c1cc2C(=O)c3cc(F)ccc3Oc2nc1N

Name:

2-amino-7-fluoro-5-oxo-5H-chromeno[2,3-b]pyridine-3-carboxamide;
2-Amino-6-fluoro-10-oxo-10H-9-oxa-1-aza-anthracene-3-carboxylic acid amide

DrugBank:

DB07040

ZINC:

ZINC000034125053

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).