Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB02271"
| Predicate | Value (sorted: none) |
|---|---|
| drugbank:description |
"
experimental
This compound belongs to the coenzyme a and derivatives. These are derivative of vitamin B5 containing a 4'-phosphopantetheine moiety attached to a diphospho-adenosine.
Coenzyme A and Derivatives
Organic Compounds
Organooxygen Compounds
Carbohydrates and Carbohydrate Conjugates
Glycosyl Compounds
Purine Ribonucleoside Diphosphates
Glycoamino Acids and Derivatives
Pentose Phosphates
Beta Amino Acids and Derivatives
Organic Pyrophosphates
Monosaccharide Phosphates
Purines and Purine Derivatives
Aminopyrimidines and Derivatives
Primary Aromatic Amines
Organic Phosphoric Acids
Organophosphate Esters
N-substituted Imidazoles
Oxolanes
Tetrahydrofurans
Secondary Carboxylic Acid Amides
Ketones
Secondary Alcohols
Thioethers
Enolates
Carboxylic Acids
Ethers
Polyamines
Aldehydes
purine ribonucleoside diphosphate
glyco amino acid
pentose-5-phosphate
pentose phosphate
beta amino acid or derivative
organic pyrophosphate
monosaccharide phosphate
pentose monosaccharide
imidazopyrimidine
purine
aminopyrimidine
n-substituted imidazole
organic phosphate
monosaccharide
phosphoric acid ester
primary aromatic amine
pyrimidine
tetrahydrofuran
azole
imidazole
oxolane
secondary alcohol
ketone
carboxamide group
secondary carboxylic acid amide
thioether
carboxylic acid derivative
carboxylic acid
polyamine
enolate
ether
primary amine
amine
carbonyl group
alcohol
organonitrogen compound
aldehyde
logP
1.88
ALOGPS
logS
-2.7
ALOGPS
Water Solubility
2.05e+00 g/l
ALOGPS
logP
-1.3
ChemAxon
IUPAC Name
{[(2S,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[(3S)-3-hydroxy-2,2-dimethyl-3-{[2-({2-[(2-oxopentadecyl)sulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}propoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid
ChemAxon
Traditional IUPAC Name
[(2S,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[({hydroxy[hydroxy(3S)-3-hydroxy-2,2-dimethyl-3-{[2-({2-[(2-oxopentadecyl)sulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}propoxyphosphoryl]oxyphosphoryl}oxy)methyl]oxolan-3-yl]oxyphosphonic acid
ChemAxon
Molecular Weight
991.916
ChemAxon
Monoisotopic Weight
991.329223883
ChemAxon
SMILES
CCCCCCCCCCCCCC(=O)CSCCNC(=O)CCNC(=O)[C@@H](O)C(C)(C)CO[P@](O)(=O)O[P@@](O)(=O)OC[C@@H]1O[C@H]([C@H](O)[C@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N
ChemAxon
Molecular Formula
C36H64N7O17P3S
ChemAxon
InChI
InChI=1S/C36H64N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-25(44)21-64-19-18-38-27(45)16-17-39-34(48)31(47)36(2,3)22-57-63(54,55)60-62(52,53)56-20-26-30(59-61(49,50)51)29(46)35(58-26)43-24-42-28-32(37)40-23-41-33(28)43/h23-24,26,29-31,35,46-47H,4-22H2,1-3H3,(H,38,45)(H,39,48)(H,52,53)(H,54,55)(H2,37,40,41)(H2,49,50,51)/t26-,29+,30-,31+,35+/m0/s1
ChemAxon
InChIKey
InChIKey=JKWHUJMJVNMKEF-QNHLWXDRSA-N
ChemAxon
Polar Surface Area (PSA)
363.63
ChemAxon
Refractivity
232.41
ChemAxon
Polarizability
98.83
ChemAxon
Rotatable Bond Count
33
ChemAxon
H Bond Acceptor Count
17
ChemAxon
H Bond Donor Count
9
ChemAxon
pKa (strongest acidic)
0.83
ChemAxon
pKa (strongest basic)
4.95
ChemAxon
Physiological Charge
-4
ChemAxon
Number of Rings
3
ChemAxon
Bioavailability
0
ChemAxon
MDDR-Like Rule
true
ChemAxon
PubChem Compound
46936334
PubChem Substance
46504583
ChemSpider
109342
PDB
NHM
BE0003780
Glycylpeptide N-tetradecanoyltransferase 2
Human
# Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. "Pubmed":http://www.ncbi.nlm.nih.gov/pubmed/17139284
# Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. "Pubmed":http://www.ncbi.nlm.nih.gov/pubmed/17016423
# Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. "Pubmed":http://www.ncbi.nlm.nih.gov/pubmed/10592235
unknown
Glycylpeptide N-tetradecanoyltransferase 2
Involved in glycylpeptide N-tetradecanoyltransferase ac
Adds a myristoyl group to the N-terminal glycine residue of certain cellular and viral proteins
NMT2
10p13
Cytoplasm
None
7.65
56979.8
Human
HUGO Gene Nomenclature Committee (HGNC)
GNC:7858
GeneCards
NMT2
GenBank Gene Database
AF043325
GenBank Protein Database
3005065
UniProtKB
O60551
UniProt Accession
NMT2_HUMAN
Myristoyl-CoA:protein N-myristoyltransferase 2
NMT 2
Peptide N-myristoyltransferase 2
Type II N-myristoyltransferase
>Glycylpeptide N-tetradecanoyltransferase 2
MAEDSESAASQQSLELDDQDTCGIDGDNEEETEHAKGSPGGYLGAKKKKKKQKRKKEKPN
SGGTKSDSASDSQEIKIQQPSKNPSVPMQKLQDIQRAMELLSACQGPARNIDEAAKHRYQ
FWDTQPVPKLDEVITSHGAIEPDKDNVRQEPYSLPQGFMWDTLDLSDAEVLKELYTLLNE
NYVEDDDNMFRFDYSPEFLLWALRPPGWLLQWHCGVRVSSNKKLVGFISAIPANIRIYDS
VKKMVEINFLCVHKKLRSKRVAPVLIREITRRVNLEGIFQAVYTAGVVLPKPIATCRYWH
RSLNPRKLVEVKFSHLSRNMTLQRTMKLYRLPDVTKTSGLRPMEPKDIKSVRELINTYLK
QFHLAPVMDEEEVAHWFLPREHIIDTFVVESPNGKLTDFLSFYTLPSTVMHHPAHKSLKA
AYSFYNIHTETPLLDLMSDALILAKSKGFDVFNALDLMENKTFLEKLKFGIGDGNLQYYL
YNWRCPGTDSEKVGLVLQ
>1497 bp
ATGGCGGAGGACAGCGAGTCTGCGGCCAGCCAGCAGAGCCTGGAACTGGACGACCAGGAC
ACGTGCGGGATAGACGGGGACAATGAGGAGGAGACGGAGCACGCCAAAGGAAGTCCTGGA
GGGTATTTGGGAGCCAAAAAGAAAAAGAAGAAACAGAAGAGAAAAAAGGAGAAACCAAAT
TCCGGAGGCACCAAGTCAGACTCGGCATCTGATTCCCAGGAGATTAAAATTCAGCAGCCT
TCGAAAAATCCCAGTGTTCCAATGCAGAAGTTGCAGGATATCCAGAGAGCAATGGAGCTG
CTATCCGCATGCCAGGGCCCAGCCAGGAACATTGATGAGGCTGCAAAGCACAGATACCAG
TTTTGGGACACACAACCGGTACCAAAACTAGATGAAGTCATAACATCTCATGGTGCAATT
GAACCAGATAAAGACAACGTACGCCAAGAACCGTATTCTTTGCCACAGGGTTTTATGTGG
GACACTTTAGACTTGAGTGATGCCGAAGTGCTCAAGGAGTTATACACGTTGTTAAATGAG
AATTACGTAGAAGATGATGACAATATGTTCCGATTTGACTATTCACCCGAGTTCCTGTTG
TGGGCTCTGCGTCCACCAGGCTGGCTCCTGCAGTGGCACTGTGGGGTCAGAGTGTCTTCA
AATAAAAAACTGGTCGGGTTCATAAGTGCCATCCCAGCAAACATTCGGATTTATGACAGT
GTGAAGAAGATGGTAGAAATCAACTTTCTTTGTGTTCATAAGAAGTTGAGATCGAAACGG
GTAGCCCCAGTGCTAATCCGAGAGATCACTAGAAGAGTGAACCTGGAAGGGATCTTCCAG
GCTGTGTACACCGCGGGAGTGGTTCTTCCTAAGCCCATAGCCACATGCAGATACTGGCAT
CGATCACTAAACCCCAGAAAATTGGTAGAAGTGAAATTTTCTCACTTGAGTAGAAATATG
ACTTTACAGAGAACAATGAAGCTATACAGACTTCCAGATGTTACAAAGACTTCAGGTTTG
AGACCAATGGAACCAAAAGATATCAAATCAGTTCGAGAATTAATCAACACTTACCTGAAG
CAGTTTCATCTGGCTCCAGTGATGGATGAAGAGGAAGTAGCCCACTGGTTCCTCCCCCGG
GAGCACATTATTGACACGTTTGTAGTGGAGAGCCCCAACGGTAAACTGACTGATTTCCTG
AGCTTCTATACGCTCCCCTCCACGGTGATGCACCACCCTGCTCACAAGAGCCTCAAAGCC
GCCTACTCATTCTACAACATCCACACAGAGACGCCCCTGCTGGACCTCATGAGCGACGCG
CTCATCCTGGCTAAATCGAAAGGATTTGATGTATTCAATGCACTGGATTTGATGGAAAAT
AAGACATTCTTGGAAAAACTCAAGTTTGGTATAGGAGATGGCAATTTGCAGTATTACCTG
TACAATTGGAGGTGTCCAGGTACAGATTCTGAAAAGGTTGGACTAGTACTACAATAG
PF01233
NMT
PF02799
NMT_C
function
glycylpeptide N-tetradecanoyltransferase activity
function
transferase activity
function
transferase activity, transferring acyl groups
function
transferase activity, transferring groups other than amino-acyl groups
function
acyltransferase activity
function
N-acyltransferase activity
function
catalytic activity
process
metabolism
process
protein amino acid lipidation
process
macromolecule metabolism
process
protein myristoylation
process
biopolymer metabolism
process
protein amino acid myristoylation
process
biopolymer modification
process
N-terminal protein myristoylation
process
protein modification
process
physiological process
"
|
| rdfs:label |
"S-(2-Oxo)Pentadecylcoa"
|
| owl:sameAs | |
| rdf:type |
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines3/drugbank_small.nt
The resource does not appear as an object