SEQ2FUN

BioLiP

PDB CCD ID: 2N0
Number of entries in BioLiP: 1
Chemical formula: C17 H19 N O
InChI: InChI=1S/C17H19NO/c1-2-14-11-15-16(9-6-10-17(15)19)18(14)12-13-7-4-3-5-8-13/h3-5,7-8,11H,2,6,9-10,12H2,1H3
InChIKey: WAZKIRPFJTZRDA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CCc1cc2C(=O)CCCc2n1Cc3ccccc3
OpenEye OEToolkits 1.9.2CCc1cc2c(n1Cc3ccccc3)CCCC2=O
ACDLabs 12.01O=C2c1cc(n(c1CCC2)Cc3ccccc3)CC
Name:1-benzyl-2-ethyl-1,5,6,7-tetrahydro-4H-indol-4-one
ChEMBL: CHEMBL3262777
ZINC: ZINC000038285032
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).