RDF/PRD_000638

PHOSPHORAMIDON

Created:	1999-12-17
Last modified:	2021-03-01

RDF/PRD_000638 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).

The representative PDB ID is 1TLP.

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Chemical Details
Formal Charge	0
Atom Count	71
Chiral Atom Count	8
Bond Count	73
Aromatic Bond Count	10

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Chemical Component Summary
Name	PHOSPHORAMIDON
Synonyms	PHOSPHORAMIDON
Systematic Name (OpenEye OEToolkits)	(2S)-2-[[(2S)-2-[[hydroxy-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-oxan-2-yl]oxy-phosphoryl]amino]-4-methyl-pentanoyl]amino]-3-(1H-indol-3-yl)propanoic acid
Formula	C₂₃ H₃₄ N₃ O₁₀ P
Molecular Weight	543.504
Type	PEPTIDE-LIKE

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=P(OC1OC(C(O)C(O)C1O)C)(O)NC(C(=O)NC(C(=O)O)Cc3c2ccccc2nc3)CC(C)C
SMILES	CACTVS	3.341	CC(C)C[CH](N[P](O)(=O)O[CH]1O[CH](C)[CH](O)[CH](O)[CH]1O)C(=O)N[CH](Cc2c[nH]c3ccccc23)C(O)=O
SMILES	OpenEye OEToolkits	1.5.0	CC1C(C(C(C(O1)OP(=O)(NC(CC(C)C)C(=O)NC(Cc2c[nH]c3c2cccc3)C(=O)O)O)O)O)O
Canonical SMILES	CACTVS	3.341	CC(C)C[C@H](N[P@@](O)(=O)O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[P@](=O)(N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2c[nH]c3c2cccc3)C(=O)O)O)O)O)O
InChI	InChI	1.03	InChI=1S/C23H34N3O10P/c1-11(2)8-16(26-37(33,34)36-23-20(29)19(28)18(27)12(3)35-23)21(30)25-17(22(31)32)9-13-10-24-15-7-5-4-6-14(13)15/h4-7,10-12,16-20,23-24,27-29H,8-9H2,1-3H3,(H,25,30)(H,31,32)(H2,26,33,34)/t12-,16-,17-,18-,19+,20+,23-/m0/s1
InChIKey	InChI	1.03	ZPHBZEQOLSRPAK-XLCYBJAPSA-N

Drug Info: DrugBank

DrugBank ID	DB02557
Name	Phosphoramidon
Groups	experimental
Synonyms	Phosphoramidon Phosphoramidon disodium
Categories	Amino Acids, Peptides, and Proteins Anti-Infective Agents Carbohydrates Enzyme Inhibitors Glycoconjugates Metalloendopeptidases, antagonists & inhibitors Peptides Protease Inhibitors
CAS number	36357-77-4

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Kell blood group glycoprotein	MEGGDQSEEEPRERSQAGGMGTLWSQESTPEERLPVEGSRPWAVARRVLT...	unknown
Neprilysin	MGKSESQMDITDINTPKPKKKQRWTPLEISLSVLVLLLTIIAVTMIALYA...	unknown	inhibitor

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682