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BioLiP

PDB CCD ID: YG9
Number of entries in BioLiP: 4
Chemical formula: C13 H16 N2 O3
InChI: InChI=1S/C13H16N2O3/c1-13(11(16)14-12(17)15-13)8-7-9-3-5-10(18-2)6-4-9/h3-6H,7-8H2,1-2H3,(H2,14,15,16,17)/t13-/m1/s1
InChIKey: HYRDVXQOZUFAFW-CYBMUJFWSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385COc1ccc(CC[C@@]2(C)NC(=O)NC2=O)cc1
ACDLabs 12.01COc1ccc(cc1)CCC1(C)NC(=O)NC1=O
OpenEye OEToolkits 2.0.7CC1(C(=O)NC(=O)N1)CCc2ccc(cc2)OC
OpenEye OEToolkits 2.0.7C[C@]1(C(=O)NC(=O)N1)CCc2ccc(cc2)OC
CACTVS 3.385COc1ccc(CC[C]2(C)NC(=O)NC2=O)cc1
Name:(5R)-5-[2-(4-methoxyphenyl)ethyl]-5-methylimidazolidine-2,4-dione
ZINC: ZINC000000125701
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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