SEQ2FUN

BioLiP

PDB CCD ID: IS7
Number of entries in BioLiP: 1
Chemical formula: C10 H11 N O
InChI: InChI=1S/C10H11NO/c1-7-3-4-9-8(5-7)6-10(12)11(9)2/h3-5H,6H2,1-2H3
InChIKey: OSKUFVWHNUVFJR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CN1C(=O)Cc2cc(C)ccc12
OpenEye OEToolkits 2.0.7Cc1ccc2c(c1)CC(=O)N2C
Name:1,5-dimethyl-3~{H}-indol-2-one
ChEMBL: CHEMBL4537338
ZINC: ZINC000034410067
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).