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BioLiP

PDB CCD ID: U26
Number of entries in BioLiP: 1
Chemical formula: C19 H14 F N3 O2
InChI: InChI=1S/C19H14FN3O2/c20-15-7-5-13(6-8-15)11-22-12-18(24)23(19(22)25)17-10-21-9-14-3-1-2-4-16(14)17/h1-10H,11-12H2
InChIKey: ZKUHTBIQDMFRSK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Fc1ccc(CN2CC(=O)N(C2=O)c3cncc4ccccc34)cc1
ACDLabs 12.01Fc1ccc(CN2CC(=O)N(C2=O)c2cncc3ccccc32)cc1
OpenEye OEToolkits 2.0.7c1ccc2c(c1)cncc2N3C(=O)CN(C3=O)Cc4ccc(cc4)F
Name:(3P)-1-[(4-fluorophenyl)methyl]-3-(isoquinolin-4-yl)imidazolidine-2,4-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).
  • 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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