SEQ2FUN

BioLiP

PDB CCD ID: FSU
Number of entries in BioLiP: 4
Chemical formula: C13 H16 N2 O3
InChI: InChI=1S/C13H16N2O3/c1-18-7-3-6-15-8-9-4-2-5-10(12(14)16)11(9)13(15)17/h2,4-5H,3,6-8H2,1H3,(H2,14,16)
InChIKey: VARCSQSOWLMGTH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6COCCCN1Cc2cccc(c2C1=O)C(=O)N
CACTVS 3.385COCCCN1Cc2cccc(C(N)=O)c2C1=O
Name:2-(3-methoxypropyl)-3-oxo-2,3-dihydro-1H-isoindole-4-carboxamide
ChEMBL: CHEMBL3605967
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).