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BioLiP Library

PDB CCD ID: ATV
Number of entries in BioLiP: 0
Chemical formula: C15 H11 N O3
InChI: InChI=1S/C15H11NO3/c17-14-11-5-1-3-9-4-2-6-12(13(9)11)15(18)16(14)7-10-8-19-10/h1-6,10H,7-8H2/t10-/m1/s1
InChIKey: TVMJTOKZNPCXOO-SNVBAGLBSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1cc2cccc3c2c(c1)C(=O)N(C3=O)CC4CO4
CACTVS 3.352O=C1N(C[CH]2CO2)C(=O)c3cccc4cccc1c34
OpenEye OEToolkits 1.7.0c1cc2cccc3c2c(c1)C(=O)N(C3=O)C[C@@H]4CO4
CACTVS 3.352O=C1N(C[C@@H]2CO2)C(=O)c3cccc4cccc1c34
Name:2-[(2R)-oxiran-2-ylmethyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione;
N-(2,3-epoxypropyl)-1,8-naphthalimide
ZINC: ZINC000004013905
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)(download the PDF file).
  • 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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