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BioLiP

PDB CCD ID: 1OV
Number of entries in BioLiP: 1
Chemical formula: C5 H15 N4 O3 P
InChI: InChI=1S/C5H15N4O3P/c6-4(13(10,11)12)2-1-3-9-5(7)8/h4H,1-3,6H2,(H4,7,8,9)(H2,10,11,12)/t4-/m1/s1
InChIKey: MMEPWCMDQUSOLC-SCSAIBSYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6C(CC(N)P(=O)(O)O)CNC(=N)N
OpenEye OEToolkits 1.7.6[H]/N=C(/N)\NCCC[C@H](N)P(=O)(O)O
ACDLabs 12.01O=P(O)(O)C(N)CCCNC(=[N@H])N
CACTVS 3.370N[CH](CCCNC(N)=N)[P](O)(O)=O
CACTVS 3.370N[C@@H](CCCNC(N)=N)[P](O)(O)=O
Name:[(1R)-1-amino-4-carbamimidamidobutyl]phosphonic acid
ZINC: ZINC000025964403
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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