BioLiP

PDB

BioLiP

PDB CCD ID:

N16

Number of entries in BioLiP:

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:

Software	SMILES
OpenEye OEToolkits 1.5.0	CC(=C1C(=O)C(NC1=O)Cc2ccccc2)Nc3ccccc3
CACTVS 3.341	CC(Nc1ccccc1)=C2C(=O)N[CH](Cc3ccccc3)C2=O
OpenEye OEToolkits 1.5.0	C/C(=C/1\C(=O)[C@@H](NC1=O)Cc2ccccc2)/Nc3ccccc3
ACDLabs 10.04	O=C2C(=C(\Nc1ccccc1)C)/C(=O)C(N2)Cc3ccccc3
CACTVS 3.341	C\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, Lydia 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).