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BioLiP

PDB CCD ID: 3A3
Number of entries in BioLiP: 1
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:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc-2c(cc1OCC(=O)O)C(=NO)c3c2ccc(c3)OCC(=O)O
CACTVS 3.341ON=C1c2cc(OCC(O)=O)ccc2c3ccc(OCC(O)=O)cc13
ACDLabs 10.04O=C(O)COc3ccc2c1ccc(OCC(=O)O)cc1/C(=N\O)c2c3
CACTVS 3.341O/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, Peter L 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).

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