SEQ2FUN

BioLiP

PDB CCD ID: M3R
Number of entries in BioLiP: 1
Chemical formula: C7 H17 N4 O4 P
InChI: InChI=1S/C7H17N4O4P/c1-16(14,15)11-5(6(12)13)3-2-4-10-7(8)9/h5H,2-4H2,1H3,(H,12,13)(H4,8,9,10)(H2,11,14,15)/t5-/m0/s1
InChIKey: BJBJPERGZRNAQZ-YFKPBYRVSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0[H]N=C(N)NCCCC(C(=O)O)NP(=O)(C)O
CACTVS 3.341C[P@](O)(=O)N[C@@H](CCCNC(N)=N)C(O)=O
CACTVS 3.341C[P](O)(=O)N[CH](CCCNC(N)=N)C(O)=O
ACDLabs 10.04O=P(O)(NC(C(=O)O)CCCNC(=[N@H])N)C
OpenEye OEToolkits 1.5.0[H]/N=C(\N)/NCCC[C@@H](C(=O)O)N[P@@](=O)(C)O
Name:Methyl phosphonated L-Arginine;
(2S)-5-carbamimidamido-2-[(hydroxy-methyl-phosphoryl)amino]pentanoic acid
ZINC: ZINC000058639145
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).