SEQ2FUN

BioLiP

PDB CCD ID: W6P
Number of entries in BioLiP: 3
Chemical formula: C8 H7 N O
InChI: InChI=1S/C8H7NO/c10-8-5-6-3-1-2-4-7(6)9-8/h1-4H,5H2,(H,9,10)
InChIKey: JYGFTBXVXVMTGB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385O=C1Cc2ccccc2N1
OpenEye OEToolkits 2.0.7c1ccc2c(c1)CC(=O)N2
ACDLabs 12.01C2(=O)Cc1c(cccc1)N2
Name:1,3-dihydro-2H-indol-2-one
ChEMBL: CHEMBL40823
ZINC: ZINC000002020050
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).