SEQ2FUN

BioLiP

PDB CCD ID: A9B
Number of entries in BioLiP: 2
Chemical formula: C11 H9 Cl N2 O2
InChI: InChI=1S/C11H9ClN2O2/c12-8-3-1-7(2-4-8)9-5-6-10(16-9)11(15)14-13/h1-6H,13H2,(H,14,15)
InChIKey: CSIJNNYNKHESOD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1cc(ccc1c2ccc(o2)C(=O)NN)Cl
CACTVS 3.385NNC(=O)c1oc(cc1)c2ccc(Cl)cc2
Name:5-(4-chlorophenyl)furan-2-carbohydrazide
ChEMBL: CHEMBL4127864
ZINC: ZINC000000091379
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).