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BioLiP

PDB CCD ID: N16
Number of entries in BioLiP: 2
Chemical formula: C19 H18 N2 O2
InChI: InChI=1S/C19H18N2O2/c1-13(20-15-10-6-3-7-11-15)17-18(22)16(21-19(17)23)12-14-8-4-2-5-9-14/h2-11,16,20H,12H2,1H3,(H,21,23)/b17-13-/t16-/m0/s1
InChIKey: KWSXUGYAGMSUTN-MUBYSKIDSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(=C1C(=O)C(NC1=O)Cc2ccccc2)Nc3ccccc3
CACTVS 3.341CC(Nc1ccccc1)=C2C(=O)N[CH](Cc3ccccc3)C2=O
OpenEye OEToolkits 1.5.0C/C(=C/1\C(=O)[C@@H](NC1=O)Cc2ccccc2)/Nc3ccccc3
ACDLabs 10.04O=C2C(=C(\Nc1ccccc1)C)/C(=O)C(N2)Cc3ccccc3
CACTVS 3.341C\C(Nc1ccccc1)=C/2C(=O)N[C@@H](Cc3ccccc3)C/2=O
Name:(3Z,5S)-5-benzyl-3-[1-(phenylamino)ethylidene]pyrrolidine-2,4-dione
ZINC: ZINC000003873948
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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