DCS

D-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-N,O-CYCLOSERYLAMIDE

Created:	1999-10-28
Last modified:	2020-06-05

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14 entries where DCS is found as a standalone ligand1 entries where DCS is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	38
Chiral Atom Count	1
Bond Count	39
Aromatic Bond Count	6

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Chemical Component Summary
Name	D-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-N,O-CYCLOSERYLAMIDE
Synonyms	D-PYRIDOXYL-N,O-CYCLOSERYLAMIDE-5-MONOPHOSPHATE
Systematic Name (OpenEye OEToolkits)	[5-hydroxy-6-methyl-4-[[[(4R)-3-oxo-1,2-oxazolidin-4-yl]amino]methyl]pyridin-3-yl]methyl dihydrogen phosphate
Formula	C₁₁ H₁₆ N₃ O₇ P
Molecular Weight	333.234
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C2NOCC2NCc1c(cnc(c1O)C)COP(=O)(O)O
SMILES	CACTVS	3.341	Cc1ncc(CO[P](O)(O)=O)c(CN[CH]2CONC2=O)c1O
SMILES	OpenEye OEToolkits	1.5.0	Cc1c(c(c(cn1)COP(=O)(O)O)CNC2CONC2=O)O
Canonical SMILES	CACTVS	3.341	Cc1ncc(CO[P](O)(O)=O)c(CN[C@@H]2CONC2=O)c1O
Canonical SMILES	OpenEye OEToolkits	1.5.0	Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H]2CONC2=O)O
InChI	InChI	1.03	InChI=1S/C11H16N3O7P/c1-6-10(15)8(3-13-9-5-20-14-11(9)16)7(2-12-6)4-21-22(17,18)19/h2,9,13,15H,3-5H2,1H3,(H,14,16)(H2,17,18,19)/t9-/m1/s1
InChIKey	InChI	1.03	NNRZSZJOQKAGTO-SECBINFHSA-N

Drug Info: DrugBank

DrugBank ID	DB02038
Name	D-[3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridin-4-ylmethyl]-N,O-cycloserylamide
Groups	experimental
Synonyms	D-[3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridin-4-ylmethyl]-N,O-cycloserylamide D-pyridoxyl-N,O-cycloserylamide-5-monophosphate

Drug Targets

Name	Target Sequence	Pharmacological Action
2,2-dialkylglycine decarboxylase	MSLNDDATFWRNARQHLVRYGGTFEPMIIERAKGSFVYDADGRAILDFTS...	unknown
Alanine racemase	MNDFHRDTWAEVDLDAIYDNVENLRRLLPDDTHIMAVVKANAYGHGDVQV...	unknown
UDP-4-amino-4-deoxy-L-arabinose--oxoglutarate aminotransferase	MSDFLPFSRPAMGAEELAAVKTVLDSGWITTGPKNQELEAAFCRLTGNQY...	unknown
Aminodeoxychorismate lyase	MFLINGHKQESLAVSDRATQFGDGCFTTARVIDGKVSLLSAHIQRLQDAC...	unknown

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