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BioLiP

PDB CCD ID: L3L
Number of entries in BioLiP: 1
Chemical formula: C14 H17 N3 O2
InChI: InChI=1S/C14H17N3O2/c15-13(18)11-3-1-2-9-8-17(14(19)12(9)11)10-4-6-16-7-5-10/h1-3,10,16H,4-8H2,(H2,15,18)
InChIKey: KISOFIKBJFDVKM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.352NC(=O)c1cccc2CN(C3CCNCC3)C(=O)c12
OpenEye OEToolkits 1.7.0c1cc2c(c(c1)C(=O)N)C(=O)N(C2)C3CCNCC3
Name:3-oxo-2-piperidin-4-yl-2,3-dihydro-1H-isoindole-4-carboxamide
ChEMBL: CHEMBL597890
ZINC: ZINC000045367153
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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