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BioLiP

PDB CCD ID: OY2
Number of entries in BioLiP: 1
Chemical formula: C15 H20 N2 O3
InChI: InChI=1S/C15H20N2O3/c1-4-14(18)17-9-8-16(5-2)13-10-11(15(19)20-3)6-7-12(13)17/h6-7,10H,4-5,8-9H2,1-3H3
InChIKey: QDHABPUVVIONNJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCC(=O)N1CCN(c2c1ccc(c2)C(=O)OC)CC
CACTVS 3.385CCN1CCN(C(=O)CC)c2ccc(cc12)C(=O)OC
Name:methyl 4-ethyl-1-propanoyl-2,3-dihydroquinoxaline-6-carboxylate
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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