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BioLiP

PDB CCD ID: OYD
Number of entries in BioLiP: 2
Chemical formula: C12 H20 N4 O3
InChI: InChI=1S/C12H20N4O3/c1-2-6-13-9-10(14-7-4-3-5-8-17)15-12(19)16-11(9)18/h6,17H,2-5,7-8H2,1H3,(H3,14,15,16,18,19)/b13-6+
InChIKey: ZKFUQHLXTDAXLG-AWNIVKPZSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CCC=NC1=C(NCCCCCO)NC(=O)NC1=O
OpenEye OEToolkits 2.0.7CCC=NC1=C(NC(=O)NC1=O)NCCCCCO
OpenEye OEToolkits 2.0.7CC/C=N/C1=C(NC(=O)NC1=O)NCCCCCO
ACDLabs 12.01C=1(NCCCCCO)NC(NC(C=1N=[C@H]CC)=O)=O
Name:6-[(5-hydroxypentyl)amino]-5-[(E)-propylideneamino]pyrimidine-2,4(1H,3H)-dione
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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