BioLiP

PDB

BioLiP

PDB CCD ID:

OXI

Number of entries in BioLiP:

Chemical formula:

C13 H11 N O5

InChI:

InChI=1S/C13H11NO5/c1-2-14-5-8(13(16)17)12(15)7-3-10-11(4-9(7)14)19-6-18-10/h3-5H,2,6H2,1H3,(H,16,17)

InChIKey:

KYGZCKSPAKDVKC-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	CCN1C=C(C(=O)c2c1cc3c(c2)OCO3)C(=O)O
ACDLabs 10.04	O=C1c3c(N(C=C1C(=O)O)CC)cc2OCOc2c3
CACTVS 3.341	CCN1C=C(C(O)=O)C(=O)c2cc3OCOc3cc12

Name:

OXOLINIC ACID

ChEMBL:

CHEMBL416755

DrugBank:

DB13627

ZINC:

ZINC000000001875

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).