SEQ2FUN

BioLiP

PDB CCD ID: RW8
Number of entries in BioLiP: 1
Chemical formula: C13 H15 N O3
InChI: InChI=1S/C13H15NO3/c1-17-13(16)7-6-12(15)14-9-8-10-4-2-3-5-11(10)14/h2-5H,6-9H2,1H3
InChIKey: AYMVNVWATJUROX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7COC(=O)CCC(=O)N1CCc2c1cccc2
CACTVS 3.385COC(=O)CCC(=O)N1CCc2ccccc12
Name:methyl 4-(2,3-dihydroindol-1-yl)-4-oxidanylidene-butanoate
ChEMBL: CHEMBL5084693
ZINC: ZINC000000027609
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).