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BioLiP

PDB CCD ID: YE6
Number of entries in BioLiP: 2
Chemical formula: C11 H9 Cl N2 O2
InChI: InChI=1S/C11H9ClN2O2/c12-8-4-2-1-3-7(8)9-5-6-10(16-9)11(15)14-13/h1-6H,13H2,(H,14,15)
InChIKey: XQMRHWSGTVEDFG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=C(c2oc(c1c(Cl)cccc1)cc2)NN
CACTVS 3.341NNC(=O)c1oc(cc1)c2ccccc2Cl
OpenEye OEToolkits 1.5.0c1ccc(c(c1)c2ccc(o2)C(=O)NN)Cl
Name:5-(2-chlorophenyl)furan-2-carbohydrazide
ChEMBL: CHEMBL200849
DrugBank: DB08757
ZINC: ZINC000004387691
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)(download the PDF file).
  • 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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