Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB03062"
Predicate | Value (sorted: default) |
---|---|
rdfs:label |
"(1-Methyl-1h-Imidazol-2-Yl)-(3-Methyl-4-{3-[(Pyridin-3-Ylmethyl)-Amino]-Propoxy}-Benzofuran-2-Yl)-Methanone"
|
rdf:type | |
drugbank:description |
"
experimental
This compound belongs to the benzofurans. These are organic compounds containing a benzene ring fused to a furan.
Benzofurans
Organic Compounds
Heterocyclic Compounds
Benzofurans
Phenol Ethers
Alkyl Aryl Ethers
Pyridines and Derivatives
N-substituted Imidazoles
Furans
Ketones
Enolates
Dialkylamines
Polyamines
phenol ether
alkyl aryl ether
benzene
pyridine
n-substituted imidazole
azole
imidazole
furan
ketone
secondary amine
polyamine
secondary aliphatic amine
enolate
ether
amine
carbonyl group
organonitrogen compound
Dietary Supplements
Micronutrients
Supplements
logP
2.83
ALOGPS
logS
-4
ALOGPS
Water Solubility
4.25e-02 g/l
ALOGPS
logP
2.55
ChemAxon
IUPAC Name
[3-({3-methyl-2-[(1-methyl-1H-imidazol-2-yl)carbonyl]-1-benzofuran-4-yl}oxy)propyl](pyridin-3-ylmethyl)amine
ChemAxon
Traditional IUPAC Name
[3-({3-methyl-2-[(1-methylimidazol-2-yl)carbonyl]-1-benzofuran-4-yl}oxy)propyl](pyridin-3-ylmethyl)amine
ChemAxon
Molecular Weight
404.4617
ChemAxon
Monoisotopic Weight
404.184840654
ChemAxon
SMILES
CN1C=CN=C1C(=O)C1=C(C)C2=C(O1)C=CC=C2OCCCNCC1=CN=CC=C1
ChemAxon
Molecular Formula
C23H24N4O3
ChemAxon
InChI
InChI=1S/C23H24N4O3/c1-16-20-18(29-13-5-10-25-15-17-6-4-9-24-14-17)7-3-8-19(20)30-22(16)21(28)23-26-11-12-27(23)2/h3-4,6-9,11-12,14,25H,5,10,13,15H2,1-2H3
ChemAxon
InChIKey
InChIKey=VZBQJKIOAOUYJL-UHFFFAOYSA-N
ChemAxon
Polar Surface Area (PSA)
82.18
ChemAxon
Refractivity
114.23
ChemAxon
Polarizability
44.88
ChemAxon
Rotatable Bond Count
9
ChemAxon
H Bond Acceptor Count
5
ChemAxon
H Bond Donor Count
1
ChemAxon
pKa (strongest basic)
8.99
ChemAxon
Physiological Charge
1
ChemAxon
Number of Rings
4
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
Ghose Filter
true
ChemAxon
MDDR-Like Rule
true
ChemAxon
PubChem Compound
446386
PubChem Substance
46505140
ChemSpider
393760
PDB
R64
BE0001502
Glycylpeptide N-tetradecanoyltransferase
Yeast
# 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
unknown
Glycylpeptide N-tetradecanoyltransferase
Involved in glycylpeptide N-tetradecanoyltransferase activity
Adds a myristoyl group to the N-terminal glycine residue of certain cellular proteins. Substrate specificity requires an N- terminal glycine in the nascent polypeptide substrates. Ser is present at position 5 in almost all known N-myristoyl proteins and Lys is commonly encountered at postion 6. Basic residues are preferred at positions 7 and 8
NMT1
Cytoplasm
None
6.44
51878.0
Yeast
GenBank Gene Database
M80544
GenBank Protein Database
170884
UniProtKB
P30418
UniProt Accession
NMT_CANAL
EC 2.3.1.97
Myristoyl-CoA:protein N-myristoyltransferase
NMT
Peptide N- myristoyltransferase
>Glycylpeptide N-tetradecanoyltransferase
MSGDNTGNKSNSAPSKSIEELLKLLAMGQELSPAQQKEMKDYKFWKTQPVPSLSETVTEE
GPIDKLKTPEDVPNDPLPLISDFEWSTLDIDDNLQLDELYKLLYDNYVEDIDATFRFKYS
HEFFQWALKPPGWRKDWHVGVRVKSTGKLVAFIAATPVTFKLNKSNKVIDSVEINFLCIH
KKLRNKRLAPVLIKEITRRVNKQNIWQALYTGGSILPTPLTTCRYQHRPINWSKLHDVGF
SHLPPNQTKSSMVASYTLPNNPKLKGLRPMTGKDVSTVLSLLYKYQERFDIVQLFTEEEF
KHWMLGHDENSDSNVVKSYVVEDENGIITDYFSYYLLPFTVLDNAQHDELGIAYLFYYAS
DSFEKPNYKKRLNELITDALITSKKFGVDVFNCLTCQDNTYFLKDCKFGSGDGFLNYYLF
NYRTFPMDGGIDKKTKEVVEDQTSGIGVVLL
>1356 bp
ATGTCGGGAGATAACACAGGGAATAAATCCAATTCAGCACCTTCAAAATCAATTGAAGAA
TTGTTGAAATTATTGGCTATGGGACAAGAATTATCCCCGGCTCAACAAAAGGAAATGAAA
GATTATAAATTTTGGAAGACTCAACCTGTACCATCATTAAGTGAAACCGTCACTGAAGAA
GGTCCTATTGATAAATTGAAAACTCCAGAAGATGTTCCTAATGATCCATTACCATTGATC
AGTGATTTTGAATGGAGTACTTTAGATATTGACGATAATTTACAATTGGATGAATTATAT
AAATTATTATATGATAATTATGTTGAAGATATTGATGCCACATTTAGATTCAAATATAGT
CATGAATTTTTCCAATGGGCTTTGAAACCACCGGGATGGAGAAAAGATTGGCATGTTGGG
GTTAGAGTGAAATCAACTGGGAAATTAGTAGCTTTTATAGCTGCTACTCCGGTCACTTTT
AAATTAAATAAATCAAATAAAGTGATTGATTCAGTGGAAATCAACTTTTTATGTATTCAT
AAAAAATTAAGAAATAAGAGATTAGCCCCTGTATTAATCAAAGAAATCACTCGTAGGGTT
AATAAACAAAACATTTGGCAAGCATTATATACTGGTGGATCGATTTTACCTACACCATTG
ACAACTTGTCGTTATCAACATCGCCCAATCAATTGGTCGAAATTGCATGATGTGGGGTTC
AGTCATTTACCTCCAAATCAAACGAAAAGCAGCATGGTGGCAAGTTATACATTACCTAAT
AATCCTAAATTGAAAGGTTTACGTCCAATGACTGGGAAAGATGTTTCCACCGTATTATCT
TTATTGTATAAATATCAAGAACGATTTGATATTGTACAACTTTTCACCGAAGAAGAATTT
AAACATTGGATGTTGGGTCATGATGAAAATTCAGATTCTAATGTGGTTAAAAGTTATGTA
GTTGAAGATGAAAATGGGATTATTACCGATTATTTTTCATATTATTTGTTACCATTCACA
GTATTAGACAATGCTCAACATGATGAATTAGGAATTGCTTATTTGTTTTATTATGCCAGT
GATTCCTTTGAAAAACCAAATTATAAAAAGAGATTAAATGAATTAATCACTGATGCATTA
ATTACCAGTAAAAAATTTGGAGTTGATGTTTTCAATTGTTTAACTTGTCAAGATAATACT
TATTTCTTAAAAGATTGTAAATTTGGTAGTGGTGATGGTTTTTTAAATTATTATCTTTTT
AATTATAGAACATTCCCTATGGATGGAGGAATTGATAAAAAGACAAAAGAAGTTGTCGAA
GATCAAACAAGTGGTATAGGTGTAGTTTTATTATAA
PF01233
NMT
PF02799
NMT_C
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
function
glycylpeptide N-tetradecanoyltransferase activity
process
biopolymer modification
process
N-terminal protein myristoylation
process
protein modification
process
physiological process
process
metabolism
process
protein amino acid lipidation
process
macromolecule metabolism
process
protein myristoylation
process
biopolymer metabolism
process
protein amino acid myristoylation
BE0004329
Glycylpeptide N-tetradecanoyltransferase 1
Human
# 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 1
Involved in glycylpeptide N-tetradecanoyltransferase ac
Adds a myristoyl group to the N-terminal glycine residue of certain cellular and viral proteins
NMT1
17q21.31
Cytoplasm
None
7.91
56805.9
Human
HUGO Gene Nomenclature Committee (HGNC)
GNC:7857
GeneCards
NMT1
GenBank Gene Database
AF043324
GenBank Protein Database
3005063
UniProtKB
P30419
UniProt Accession
NMT1_HUMAN
Myristoyl-CoA:protein N-myristoyltransferase 1
NMT 1
Peptide N-myristoyltransferase 1
Type I N-myristoyltransferase
>Glycylpeptide N-tetradecanoyltransferase 1
MADESETAVKPPAPPLPQMMEGNGNGHEHCSDCENEEDNSYNRGGLSPANDTGAKKKKKK
QKKKKEKGSETDSAQDQPVKMNSLPAERIQEIQKAIELFSVGQGPAKTMEEASKRSYQFW
DTQPVPKLGEVVNTHGPVEPDKDNIRQEPYTLPQGFTWDALDLGDRGVLKELYTLLNENY
VEDDDNMFRFDYSPEFLLWALRPPGWLPQWHCGVRVVSSRKLVGFISAIPANIHIYDTEK
KMVEINFLCVHKKLRSKRVAPVLIREITRRVHLEGIFQAVYTAGVVLPKPVGTCRYWHRS
LNPRKLIEVKFSHLSRNMTMQRTMKLYRLPETPKTAGLRPMETKDIPVVHQLLTRYLKQF
HLTPVMSQEEVEHWFYPQENIIDTFVVENANGEVTDFLSFYTLPSTIMNHPTHKSLKAAY
SFYNVHTQTPLLDLMSDALVLAKMKGFDVFNALDLMENKTFLEKLKFGIGDGNLQYYLYN
WKCPSMGAEKVGLVLQ
>1491 bp
ATGGCGGACGAGAGTGAGACAGCAGTGAAGCCGCCGGCACCTCCGCTGCCGCAGATGATG
GAAGGGAACGGGAACGGCCATGAGCACTGCAGCGATTGCGAGAATGAGGAGGACAACAGC
TACAACCGGGGTGGTTTGAGTCCAGCCAATGACACTGGAGCCAAAAAGAAGAAAAAGAAA
CAAAAAAAGAAGAAAGAAAAAGGCAGTGAGACAGATTCAGCCCAGGATCAGCCTGTGAAG
ATGAACTCTTTGCCAGCAGAGAGGATCCAGGAAATACAGAAGGCCATTGAGCTGTTCTCA
GTGGGTCAGGGACCTGCCAAAACCATGGAGGAGGCTAGCAAGCGAAGCTACCAGTTCTGG
GATACGCAGCCCGTCCCCAAGCTGGGCGAAGTGGTGAACACCCATGGCCCCGTGGAGCCT
GACAAGGACAATATCCGCCAGGAGCCCTACACCCTGCCCCAGGGCTTCACCTGGGATGCT
TTGGACTTGGGCGATCGTGGTGTGCTAAAAGAACTGTACACCCTCCTGAATGAGAACTAT
GTGGAAGATGATGACAACATGTTCCGATTTGATTATTCCCCGGAGTTTCTTTTGTGGGCT
CTCCGGCCACCCGGCTGGCTCCCCCAGTGGCACTGTGGGGTTCGAGTGGTCTCAAGTCGG
AAATTGGTTGGGTTCATTAGCGCCATCCCAGCAAACATCCATATCTATGACACAGAGAAG
AAGATGGTAGAGATCAACTTCCTGTGTGTCCACAAGAAGCTGCGTTCCAAGAGGGTTGCT
CCAGTTCTGATCCGAGAGATCACCAGGCGGGTTCACCTGGAGGGCATCTTCCAAGCAGTT
TACACTGCCGGGGTGGTACTACCAAAGCCCGTTGGCACCTGCAGGTATTGGCATCGGTCC
CTAAACCCACGGAAGCTGATTGAAGTGAAGTTCTCCCACCTGAGCAGAAATATGACCATG
CAGCGCACCATGAAGCTCTACCGACTGCCAGAGACTCCCAAGACAGCTGGGCTGCGACCA
ATGGAAACAAAGGACATTCCAGTAGTGCACCAGCTCCTCACCAGGTACTTGAAGCAATTT
CACCTTACGCCCGTCATGAGCCAGGAGGAGGTGGAGCACTGGTTCTACCCCCAGGAGAAT
ATCATCGACACTTTCGTGGTGGAGAACGCAAACGGAGAGGTGACAGATTTCCTGAGCTTT
TATACGCTGCCCTCCACCATCATGAACCATCCAACCCACAAGAGTCTCAAAGCTGCTTAT
TCTTTCTACAACGTTCACACCCAGACCCCTCTTCTAGACCTCATGAGCGACGCCCTTGTC
CTCGCCAAAATGAAAGGGTTTGATGTGTTCAATGCACTGGATCTCATGGAGAACAAAACC
TTCCTGGAGAAGCTCAAGTTTGGCATAGGGGACGGCAACCTGCAGTATTACCTTTACAAT
TGGAAATGCCCCAGCATGGGGGCAGAGAAGGTTGGACTGGTGCTACAATAA
PF01233
NMT
PF02799
NMT_C
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
function
glycylpeptide N-tetradecanoyltransferase activity
process
protein modification
process
physiological process
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
"
|
drugbank:drugCategory | |
owl:sameAs |
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines3/drugbank_small.nt
The resource does not appear as an object