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BioLiP

PDB CCD ID: WUZ
Number of entries in BioLiP: 2
Chemical formula: C19 H16 Cl2 N2 O3
InChI: InChI=1S/C19H16Cl2N2O3/c1-11-8-17(24)23(19(11)26)15-6-3-12(4-7-15)18(25)22-10-13-2-5-14(20)9-16(13)21/h2-7,9,11H,8,10H2,1H3,(H,22,25)/t11-/m1/s1
InChIKey: XQJYUMZZHNFDCF-LLVKDONJSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC1CC(=O)N(C1=O)c2ccc(cc2)C(=O)NCc3ccc(cc3Cl)Cl
CACTVS 3.385C[CH]1CC(=O)N(C1=O)c2ccc(cc2)C(=O)NCc3ccc(Cl)cc3Cl
OpenEye OEToolkits 2.0.7C[C@@H]1CC(=O)N(C1=O)c2ccc(cc2)C(=O)NCc3ccc(cc3Cl)Cl
ACDLabs 12.01Clc1ccc(CNC(=O)c2ccc(cc2)N2C(=O)CC(C)C2=O)c(Cl)c1
CACTVS 3.385C[C@@H]1CC(=O)N(C1=O)c2ccc(cc2)C(=O)NCc3ccc(Cl)cc3Cl
Name:N-[(2,4-dichlorophenyl)methyl]-4-[(3R)-3-methyl-2,5-dioxopyrrolidin-1-yl]benzamide
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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