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BioLiP

PDB CCD ID: YRO
Number of entries in BioLiP: 2
Chemical formula: C11 H16 N2 O4
InChI: InChI=1S/C11H16N2O4/c1-11(2,3)5-4-6-7(9(15)16)12-10(17)13-8(6)14/h4-5H2,1-3H3,(H,15,16)(H2,12,13,14,17)
InChIKey: HROWFJPIAGSCKL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C1NC(C(=O)O)=C(C(=O)N1)CCC(C)(C)C
CACTVS 3.370CC(C)(C)CCC1=C(NC(=O)NC1=O)C(O)=O
OpenEye OEToolkits 1.7.6CC(C)(C)CCC1=C(NC(=O)NC1=O)C(=O)O
Name:5-(3,3-dimethylbutyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
ZINC: ZINC000095920974
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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