BioLiP

PDB

BioLiP

PDB CCD ID:

ZYL

Number of entries in BioLiP:

Chemical formula:

C19 H23 N O5

InChI:

InChI=1S/C19H23NO5/c1-2-3-4-5-11-25-15-8-6-7-14(12-15)13-20-10-9-16(21)17(18(20)22)19(23)24/h6-10,12,21H,2-5,11,13H2,1H3,(H,23,24)

InChIKey:

IEFKPWNGVIDYEA-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	O=C(O)C1=C(O)C=CN(C1=O)Cc2cc(OCCCCCC)ccc2
OpenEye OEToolkits 1.7.6	CCCCCCOc1cccc(c1)CN2C=CC(=C(C2=O)C(=O)O)O
CACTVS 3.370	CCCCCCOc1cccc(CN2C=CC(=C(C(O)=O)C2=O)O)c1

Name:

1-[3-(hexyloxy)benzyl]-4-hydroxy-2-oxo-1,2-dihydropyridine-3-carboxylic acid

ChEMBL:

CHEMBL2063256

ZINC:

ZINC000084669316

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).