Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB02477"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"[Cyclohexylethyl]-[[[[4-[2-Methyl-1-Imidazolyl-Butyl]Phenyl]Acetyl]-Seryl]-Lysinyl]-Amine"
|
| rdf:type | |
| drugbank:description |
"
experimental
This compound belongs to the peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.
Peptides
Organic Compounds
Organic Acids and Derivatives
Carboxylic Acids and Derivatives
Amino Acids, Peptides, and Analogues
N-acyl-alpha Amino Acids and Derivatives
Alpha Amino Acid Amides
N-acyl Amines
N-substituted Imidazoles
Benzene and Substituted Derivatives
Secondary Carboxylic Acid Amides
Primary Alcohols
Enolates
Polyamines
Carboxylic Acids
Monoalkylamines
n-acyl-alpha amino acid or derivative
alpha-amino acid amide
n-acyl-amine
alpha-amino acid or derivative
benzene
n-substituted imidazole
azole
imidazole
secondary carboxylic acid amide
carboxamide group
enolate
carboxylic acid
primary alcohol
polyamine
amine
alcohol
primary amine
primary aliphatic amine
organonitrogen compound
logP
3.59
ALOGPS
logS
-5.3
ALOGPS
Water Solubility
2.99e-03 g/l
ALOGPS
logP
2.39
ChemAxon
IUPAC Name
(2R)-6-amino-N-(2-cyclohexylethyl)-2-[(2R)-3-hydroxy-2-(2-{4-[4-(2-methyl-1H-imidazol-1-yl)butyl]phenyl}acetamido)propanamido]hexanamide
ChemAxon
Traditional IUPAC Name
(2R)-6-amino-N-(2-cyclohexylethyl)-2-[(2R)-3-hydroxy-2-(2-{4-[4-(2-methylimidazol-1-yl)butyl]phenyl}acetamido)propanamido]hexanamide
ChemAxon
Molecular Weight
596.8038
ChemAxon
Monoisotopic Weight
596.405004182
ChemAxon
SMILES
CC1=NC=CN1CCCCC1=CC=C(CC(=O)N[C@H](CO)C(=O)N[C@H](CCCCN)C(=O)NCCC2CCCCC2)C=C1
ChemAxon
Molecular Formula
C33H52N6O4
ChemAxon
InChI
InChI=1S/C33H52N6O4/c1-25-35-20-22-39(25)21-8-6-11-27-13-15-28(16-14-27)23-31(41)37-30(24-40)33(43)38-29(12-5-7-18-34)32(42)36-19-17-26-9-3-2-4-10-26/h13-16,20,22,26,29-30,40H,2-12,17-19,21,23-24,34H2,1H3,(H,36,42)(H,37,41)(H,38,43)/t29-,30-/m1/s1
ChemAxon
InChIKey
InChIKey=WHLPIOSHBKQGHA-LOYHVIPDSA-N
ChemAxon
Polar Surface Area (PSA)
151.37
ChemAxon
Refractivity
168.82
ChemAxon
Polarizability
68.86
ChemAxon
Rotatable Bond Count
19
ChemAxon
H Bond Acceptor Count
6
ChemAxon
H Bond Donor Count
5
ChemAxon
pKa (strongest acidic)
12.2
ChemAxon
pKa (strongest basic)
10.2
ChemAxon
Physiological Charge
2
ChemAxon
Number of Rings
3
ChemAxon
Bioavailability
0
ChemAxon
MDDR-Like Rule
true
ChemAxon
PubChem Compound
10579415
PubChem Substance
46504453
ChemSpider
3676763
PDB
MIM
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
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
"
|
| 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