BioLiP

PDB

BioLiP

PDB CCD ID:

MZN

Number of entries in BioLiP:

Chemical formula:

C21 H20 F N3 O3

InChI:

InChI=1S/C21H20FN3O3/c1-2-19(27)25-7-6-12(11-25)16-8-13-10-23-17(9-14(13)21(28)24-16)20-15(22)4-3-5-18(20)26/h3-5,9-10,12,26H,2,6-8,11H2,1H3/t12-/m1/s1

InChIKey:

RWOYGQRZJZBHOJ-GFCCVEGCSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CCC(=O)N1CC[C@H](C1)C2=NC(=O)c3cc(ncc3C2)c4c(O)cccc4F
OpenEye OEToolkits 2.0.7	CCC(=O)N1CCC(C1)C2=NC(=O)c3cc(ncc3C2)c4c(cccc4F)O
OpenEye OEToolkits 2.0.7	CCC(=O)N1CC[C@H](C1)C2=NC(=O)c3cc(ncc3C2)c4c(cccc4F)O
CACTVS 3.385	CCC(=O)N1CC[CH](C1)C2=NC(=O)c3cc(ncc3C2)c4c(O)cccc4F

Name:

7-(2-fluoranyl-6-oxidanyl-phenyl)-3-[(3~{R})-1-propanoylpyrrolidin-3-yl]-4~{H}-2,6-naphthyridin-1-one

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).