SEQ2FUN

BioLiP

PDB CCD ID: VCN
Number of entries in BioLiP: 1
Chemical formula: C18 H17 N O2
InChI: InChI=1S/C18H17NO2/c1-3-19(4-2)18(21)15-11-7-10-14-16(15)12-8-5-6-9-13(12)17(14)20/h5-11H,3-4H2,1-2H3
InChIKey: ABJOLLLERVOCAY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CCN(CC)C(=O)c1cccc2C(=O)c3ccccc3c12
OpenEye OEToolkits 2.0.7CCN(CC)C(=O)c1cccc2c1-c3ccccc3C2=O
Name:~{N},~{N}-diethyl-9-oxidanylidene-fluorene-4-carboxamide
ChEMBL: CHEMBL1486504
ZINC: ZINC000000133586
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).