SEQ2FUN

BioLiP

PDB CCD ID: SRH
Number of entries in BioLiP: 1
Chemical formula: C14 H17 N O3
InChI: InChI=1S/C14H17NO3/c1-2-18-14(17)8-7-13(16)15-10-9-11-5-3-4-6-12(11)15/h3-6H,2,7-10H2,1H3
InChIKey: YTMPPLAKDQKOFM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CCOC(=O)CCC(=O)N1CCc2ccccc12
OpenEye OEToolkits 2.0.7CCOC(=O)CCC(=O)N1CCc2c1cccc2
Name:ethyl 4-(2,3-dihydroindol-1-yl)-4-oxidanylidene-butanoate
ChEMBL: CHEMBL5078750
ZINC: ZINC000002697813
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).