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BioLiP

PDB CCD ID: 37E
Number of entries in BioLiP: 1
Chemical formula: C8 H19 N2 O3 P
InChI: InChI=1S/C8H19N2O3P/c9-8(14(11,12)13)6-10-7-4-2-1-3-5-7/h7-8,10H,1-6,9H2,(H2,11,12,13)/t8-/m1/s1
InChIKey: FCNVXOHFLIBILW-MRVPVSSYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385N[C@@H](CNC1CCCCC1)[P](O)(O)=O
OpenEye OEToolkits 1.7.6C1CCC(CC1)NCC(N)P(=O)(O)O
OpenEye OEToolkits 1.7.6C1CCC(CC1)NC[C@H](N)P(=O)(O)O
ACDLabs 12.01O=P(O)(O)C(N)CNC1CCCCC1
CACTVS 3.385N[CH](CNC1CCCCC1)[P](O)(O)=O
Name:[(1R)-1-amino-2-(cyclohexylamino)ethyl]phosphonic acid
ZINC: ZINC000098208401
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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