BioLiP

PDB

BioLiP

PDB CCD ID:

6FX

Number of entries in BioLiP:

Chemical formula:

C14 H10 N2 O4

InChI:

InChI=1S/C14H10N2O4/c1-19-14(18)9-4-8(6-15-7-9)12-5-10-11(20-12)2-3-16-13(10)17/h2-7H,1H3,(H,16,17)

InChIKey:

CKTWBGKZILYBCF-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	COC(=O)c1cncc(c1)c2oc3C=CNC(=O)c3c2
OpenEye OEToolkits 2.0.4	COC(=O)c1cc(cnc1)c2cc3c(o2)C=CNC3=O

Name:

methyl 5-(4-oxidanylidene-5~{H}-furo[3,2-c]pyridin-2-yl)pyridine-3-carboxylate;
methyl 5-(4-oxo-4,5-dihydrofuro[3,2-c]pyridin-2-yl)nicotinate

ZINC:

ZINC000584904684

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).