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BioLiP

PDB CCD ID: IDH
Number of entries in BioLiP: 2
Chemical formula: C4 H5 I N2 O2
InChI: InChI=1S/C4H5IN2O2/c5-2-1-6-4(9)7-3(2)8/h2H,1H2,(H2,6,7,8,9)/t2-/m0/s1
InChIKey: YGKCTZPSAOUUMT-REOHCLBHSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1C(C(=O)NC(=O)N1)I
CACTVS 3.341I[C@H]1CNC(=O)NC1=O
OpenEye OEToolkits 1.5.0C1[C@@H](C(=O)NC(=O)N1)I
CACTVS 3.341I[CH]1CNC(=O)NC1=O
ACDLabs 10.04O=C1NC(=O)NCC1I
Name:(5S)-5-IODODIHYDRO-2,4(1H,3H)-PYRIMIDINEDIONE
DrugBank: DB02303
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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