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BioLiP

PDB CCD ID: 727
Number of entries in BioLiP: 2
Chemical formula: C18 H16 N4 O4
InChI: InChI=1S/C18H16N4O4/c1-26-12-7-8-14-13(9-12)15(23)22(21-14)10-18(11-5-3-2-4-6-11)16(24)19-17(25)20-18/h2-9,21H,10H2,1H3,(H2,19,20,24,25)/t18-/m0/s1
InChIKey: OXEVTLWXFDHNQD-SFHVURJKSA-N
SMILES:
SoftwareSMILES
CACTVS 3.352COc1ccc2NN(C[C]3(NC(=O)NC3=O)c4ccccc4)C(=O)c2c1
OpenEye OEToolkits 1.7.0COc1ccc2c(c1)C(=O)N(N2)C[C@@]3(C(=O)NC(=O)N3)c4ccccc4
OpenEye OEToolkits 1.7.0COc1ccc2c(c1)C(=O)N(N2)CC3(C(=O)NC(=O)N3)c4ccccc4
CACTVS 3.352COc1ccc2NN(C[C@]3(NC(=O)NC3=O)c4ccccc4)C(=O)c2c1
Name:(5R)-5-[(5-methoxy-3-oxo-1,3-dihydro-2H-indazol-2-yl)methyl]-5-phenylimidazolidine-2,4-dione
ZINC: ZINC000035825534
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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