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BioLiP

PDB CCD ID: NMF
Number of entries in BioLiP: 2
Chemical formula: C10 H15 F N2 O3
InChI: InChI=1S/C10H15FN2O3/c1-6-8(3-7(4-11)5-14)13(2)10(16)12-9(6)15/h7,14H,3-5H2,1-2H3,(H,12,15,16)/t7-/m0/s1
InChIKey: OHXHFKXQCMBBKV-ZETCQYMHSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0CC1=C(N(C(=O)NC1=O)C)CC(CO)CF
OpenEye OEToolkits 1.7.0CC1=C(N(C(=O)NC1=O)C)C[C@H](CO)CF
ACDLabs 12.01O=C1C(=C(N(C(=O)N1)C)CC(CF)CO)C
CACTVS 3.370CN1C(=O)NC(=O)C(=C1C[C@H](CO)CF)C
CACTVS 3.370CN1C(=O)NC(=O)C(=C1C[CH](CO)CF)C
Name:6-[(2R)-2-(fluoromethyl)-3-hydroxy-propyl]-1,5-dimethyl-pyrimidine-2,4-dione
ZINC: ZINC000095921270
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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