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BioLiP

PDB CCD ID: B23
Number of entries in BioLiP: 1
Chemical formula: C11 H7 N O5
InChI: InChI=1S/C11H7NO5/c13-11(14)10-6-5-9(17-10)7-3-1-2-4-8(7)12(15)16/h1-6H,(H,13,14)
InChIKey: XUFDYUSOQQYQRL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=C(O)c2oc(c1c([N+]([O-])=O)cccc1)cc2
OpenEye OEToolkits 1.5.0c1ccc(c(c1)c2ccc(o2)C(=O)O)[N+](=O)[O-]
CACTVS 3.341OC(=O)c1oc(cc1)c2ccccc2[N+]([O-])=O
Name:5-(2-NITROPHENYL)-2-FUROIC ACID
ChEMBL: CHEMBL425386
DrugBank: DB07408
ZINC: ZINC000000155127
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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