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BioLiP

PDB CCD ID: ENZ
Number of entries in BioLiP: 1
Chemical formula: C15 H15 N3 O
InChI: InChI=1S/C15H15N3O/c1-11-14(12-7-3-2-4-8-12)15(19)18(17-11)13-9-5-6-10-16-13/h2-11,14,17H,1H3/t11-,14+/m1/s1
InChIKey: WTUXNFZMAWODGB-RISCZKNCSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6CC1C(C(=O)N(N1)c2ccccn2)c3ccccc3
CACTVS 3.385C[CH]1NN(C(=O)[CH]1c2ccccc2)c3ccccn3
OpenEye OEToolkits 2.0.6CC1[C@H](C(=O)N(N1)c2ccccn2)c3ccccc3
CACTVS 3.385C[C@H]1NN(C(=O)[C@@H]1c2ccccc2)c3ccccn3
Name:(4~{R})-5-methyl-4-phenyl-2-pyridin-2-yl-pyrazolidin-3-one
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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