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BioLiP

PDB CCD ID: L7S
Number of entries in BioLiP: 1
Chemical formula: C13 H14 N2 O3
InChI: InChI=1S/C13H14N2O3/c1-2-15-11(16)7-10(13(15)18)8-4-3-5-9(6-8)12(14)17/h3-6,10H,2,7H2,1H3,(H2,14,17)/t10-/m1/s1
InChIKey: XGUUYQHDALENIF-SNVBAGLBSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6CCN1C(=O)CC(C1=O)c2cccc(c2)C(=O)N
OpenEye OEToolkits 1.7.6CCN1C(=O)C[C@@H](C1=O)c2cccc(c2)C(=O)N
CACTVS 3.385CCN1C(=O)C[CH](C1=O)c2cccc(c2)C(N)=O
CACTVS 3.385CCN1C(=O)C[C@@H](C1=O)c2cccc(c2)C(N)=O
ACDLabs 12.01O=C2N(C(=O)CC2c1cccc(C(=O)N)c1)CC
Name:3-[(3R)-1-ethyl-2,5-dioxopyrrolidin-3-yl]benzamide
ZINC: ZINC000263621215
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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