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BioLiP

PDB CCD ID: IPP
Number of entries in BioLiP: 2
Chemical formula: C9 H11 I N O3 P
InChI: InChI=1S/C9H11INO3P/c10-8-3-1-7(2-4-8)5-9(12)11-6-15(13)14/h1-4,15H,5-6H2,(H,11,12)(H,13,14)
InChIKey: NJMHQBSYSLWOQF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc(ccc1CC(=O)NC[P@H](=O)O)I
CACTVS 3.341O[P@@H](=O)CNC(=O)Cc1ccc(I)cc1
OpenEye OEToolkits 1.5.0c1cc(ccc1CC(=O)NCP(=O)O)I
CACTVS 3.341O[PH](=O)CNC(=O)Cc1ccc(I)cc1
ACDLabs 10.04Ic1ccc(cc1)CC(=O)NCP(=O)O
Name:(P-IODOPHENYLACETYLAMINO)METHYLPHOSPHINIC ACID
DrugBank: DB04123
ZINC: ZINC000003870423
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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