BioLiP

PDB

BioLiP

PDB CCD ID:

3A3

Number of entries in BioLiP:

Chemical formula:

C17 H13 N O7

InChI:

InChI=1S/C17H13NO7/c19-15(20)7-24-9-1-3-11-12-4-2-10(25-8-16(21)22)6-14(12)17(18-23)13(11)5-9/h1-6,23H,7-8H2,(H,19,20)(H,21,22)

InChIKey:

VOKATEXROYSXDW-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	c1cc-2c(cc1OCC(=O)O)C(=NO)c3c2ccc(c3)OCC(=O)O
CACTVS 3.341	ON=C1c2cc(OCC(O)=O)ccc2c3ccc(OCC(O)=O)cc13
ACDLabs 10.04	O=C(O)COc3ccc2c1ccc(OCC(=O)O)cc1/C(=N\O)c2c3
CACTVS 3.341	O/N=C1/c2cc(OCC(O)=O)ccc2c3ccc(OCC(O)=O)cc13

Name:

2,2'-{[9-(HYDROXYIMINO)-9H-FLUORENE-2,7-DIYL]BIS(OXY)}DIACETIC ACID

DrugBank:

DB07034

ZINC:

ZINC000000243912

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).