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BioLiP

PDB CCD ID: V18
Number of entries in BioLiP: 1
Chemical formula: C19 H19 N3 O2
InChI: InChI=1S/C19H19N3O2/c23-17-19(8-14(9-19)12-5-3-6-12)21-18(24)22(17)16-11-20-10-13-4-1-2-7-15(13)16/h1-2,4,7,10-12,14H,3,5-6,8-9H2,(H,21,24)/t14-,19-
InChIKey: YKGOQXICHYEMJW-QUWSVYMGSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc2c(c1)cncc2N3C(=O)C4(CC(C4)C5CCC5)NC3=O
CACTVS 3.385O=C1N[C]2(C[CH](C2)C3CCC3)C(=O)N1c4cncc5ccccc45
CACTVS 3.385O=C1N[C@@]2(C[C@H](C2)C3CCC3)C(=O)N1c4cncc5ccccc45
Name:2-cyclobutyl-7-isoquinolin-4-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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