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BioLiP

PDB CCD ID: U9H
Number of entries in BioLiP: 2
Chemical formula: C15 H16 F N3 O2
InChI: InChI=1S/C15H16FN3O2/c16-11-4-12(8-17-7-11)19-13(20)15(18-14(19)21)5-10(6-15)9-2-1-3-9/h4,7-10H,1-3,5-6H2,(H,18,21)/t10-,15-
InChIKey: FOZLXSUKKDDCIZ-LGZQZNNBSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1c(cncc1F)N2C(=O)C3(CC(C3)C4CCC4)NC2=O
CACTVS 3.385Fc1cncc(c1)N2C(=O)N[C]3(C[CH](C3)C4CCC4)C2=O
CACTVS 3.385Fc1cncc(c1)N2C(=O)N[C@@]3(C[C@H](C3)C4CCC4)C2=O
Name:2-cyclobutyl-7-(5-fluoropyridin-3-yl)-5,7-diazaspiro[3.4]octane-6,8-dione;
2-cyclobutyl-7-(5-fluoranylpyridin-3-yl)-5,7-diazaspiro[3.4]octane-6,8-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)(download the PDF file).
  • 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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