SEQ2FUN

BioLiP

PDB CCD ID: J0L
Number of entries in BioLiP: 1
Chemical formula: C11 H14 N2 O
InChI: InChI=1S/C11H14N2O/c1-11(2)7-5-4-6-8(12-3)9(7)13-10(11)14/h4-6,12H,1-3H3,(H,13,14)
InChIKey: JKJOXJGLLJZNII-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC1(c2cccc(c2NC1=O)NC)C
CACTVS 3.385CNc1cccc2c1NC(=O)C2(C)C
Name:3,3-dimethyl-7-(methylamino)-1H-indol-2-one
ChEMBL: CHEMBL4848983
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).