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BioLiP

PDB CCD ID: 11G
Number of entries in BioLiP: 1
Chemical formula: C14 H20 N4 O
InChI: InChI=1S/C14H20N4O/c1-3-11-14(19)17(2)12-8-15-9-16-13(12)18(11)10-6-4-5-7-10/h8-11H,3-7H2,1-2H3/t11-/m1/s1
InChIKey: WQXIWGBBMQMEGH-LLVKDONJSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6CCC1C(=O)N(c2cncnc2N1C3CCCC3)C
CACTVS 3.370CC[CH]1N(C2CCCC2)c3ncncc3N(C)C1=O
ACDLabs 12.01O=C1N(c3cncnc3N(C1CC)C2CCCC2)C
OpenEye OEToolkits 1.7.6CC[C@@H]1C(=O)N(c2cncnc2N1C3CCCC3)C
CACTVS 3.370CC[C@H]1N(C2CCCC2)c3ncncc3N(C)C1=O
Name:(7R)-8-cyclopentyl-7-ethyl-5-methyl-7,8-dihydropteridin-6(5H)-one
ZINC: ZINC000095921026
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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