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BioLiP

PDB CCD ID: P1Z
Number of entries in BioLiP: 12
Chemical formula: C19 H20 N2 O2
InChI: InChI=1S/C19H20N2O2/c1-2-3-14-17-18(22)20(15-10-6-4-7-11-15)21(19(17)23)16-12-8-5-9-13-16/h4-13,17H,2-3,14H2,1H3
InChIKey: VYMDGNCVAMGZFE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=C2N(c1ccccc1)N(C(=O)C2CCCC)c3ccccc3
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CCCCC1C(=O)N(N(C1=O)c2ccccc2)c3ccccc3
Name:4-BUTYL-1,2-DIPHENYL-PYRAZOLIDINE-3,5-DIONE
ChEMBL: CHEMBL101
DrugBank: DB00812
ZINC: ZINC000100004227
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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