SEQ2FUN

BioLiP

PDB CCD ID: MVJ
Number of entries in BioLiP: 1
Chemical formula: C18 H23 N O2
InChI: InChI=1S/C18H23NO2/c20-17-18(8-10-21-11-9-18)15-12-14(6-7-16(15)19-17)13-4-2-1-3-5-13/h6-7,12-13H,1-5,8-11H2,(H,19,20)
InChIKey: RZFQOJSXHMJDFD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385O=C1Nc2ccc(cc2C13CCOCC3)C4CCCCC4
OpenEye OEToolkits 1.7.6c1cc2c(cc1C3CCCCC3)C4(CCOCC4)C(=O)N2
Name:5-cyclohexylspiro[1H-indole-3,4'-oxane]-2-one
ChEMBL: CHEMBL4469387
ZINC: ZINC000230473062
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).