BioLiP

PDB

BioLiP

PDB CCD ID:

LP8

Number of entries in BioLiP:

Chemical formula:

C13 H14 N2 O3

InChI:

InChI=1S/C13H14N2O3/c16-11-9-6-3-7-14-12(9)15(18)13(17)10(11)8-4-1-2-5-8/h3,6-8,16,18H,1-2,4-5H2

InChIKey:

QHMJHXXRZXAFLA-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.0	c1cc2c(nc1)N(C(=O)C(=C2O)C3CCCC3)O
CACTVS 3.352	ON1C(=O)C(=C(O)c2cccnc12)C3CCCC3

Name:

3-cyclopentyl-1,4-dihydroxy-1,8-naphthyridin-2(1H)-one

ZINC:

ZINC000103548756

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).