Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB04741"
| Predicate | Value (sorted: none) |
|---|---|
| drugbank:drugCategory | |
| drugbank:drugCategory | |
| rdf:type | |
| drugbank:description |
"
76706-55-3
experimental
This compound belongs to the 2,4-disubstituted thiazoles. These are compounds containing a thiazole ring substituted at positions 2 and 4 only.
2,4-disubstituted Thiazoles
Organic Compounds
Heterocyclic Compounds
Azoles
Thiazoles
Enones
Primary Carboxylic Acid Amides
Ethers
Polyamines
Enolates
Carboxylic Acids
enone
primary carboxylic acid amide
carboxamide group
carboxylic acid derivative
ether
polyamine
carboxylic acid
enolate
amine
organonitrogen compound
(2Z,6E)-7-{2'-[(2E,4E)-1,6-DIMETHYLHEPTA-2,4-DIENYL]-2,4'-BI-1,3-THIAZOL-4-YL}-3,5-DIMETHOXY-4-METHYLHEPTA-2,6-DIENAMIDE
Antifungal Agents
Anti-Bacterial Agents
logP
5.38
ALOGPS
logS
-5.5
ALOGPS
Water Solubility
1.49e-03 g/l
ALOGPS
logP
4.96
ChemAxon
IUPAC Name
(2E,4R,5S,6E)-3,5-dimethoxy-4-methyl-7-(2-{2-[(2S,3E,5E)-7-methylocta-3,5-dien-2-yl]-1,3-thiazol-4-yl}-1,3-thiazol-4-yl)hepta-2,6-dienamide
ChemAxon
Traditional IUPAC Name
myxothiazol
ChemAxon
Molecular Weight
487.678
ChemAxon
Monoisotopic Weight
487.196333317
ChemAxon
SMILES
CO[C@@H](\C=C\C1=CSC(=N1)C1=CSC(=N1)[C@@H](C)\C=C\C=C\C(C)C)[C@@H](C)C(\OC)=C/C(N)=O
ChemAxon
Molecular Formula
C25H33N3O3S2
ChemAxon
InChI
InChI=1S/C25H33N3O3S2/c1-16(2)9-7-8-10-17(3)24-28-20(15-33-24)25-27-19(14-32-25)11-12-21(30-5)18(4)22(31-6)13-23(26)29/h7-18,21H,1-6H3,(H2,26,29)/b9-7+,10-8+,12-11+,22-13+/t17-,18+,21-/m0/s1
ChemAxon
InChIKey
InChIKey=XKTFQMCPGMTBMD-FYHMSGCOSA-N
ChemAxon
Polar Surface Area (PSA)
87.33
ChemAxon
Refractivity
149.97
ChemAxon
Polarizability
55.01
ChemAxon
Rotatable Bond Count
12
ChemAxon
H Bond Acceptor Count
5
ChemAxon
H Bond Donor Count
1
ChemAxon
pKa (strongest acidic)
15.91
ChemAxon
pKa (strongest basic)
1.42
ChemAxon
Physiological Charge
0
ChemAxon
Number of Rings
2
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
ChEBI
25461
PubChem Compound
10972974
PubChem Substance
46507900
PDB
MYX
BE0001005
Cytochrome b-c1 complex subunit 1, mitochondrial
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
Cytochrome b-c1 complex subunit 1, mitochondrial
Involved in metalloendopeptidase activity
This is a component of the ubiquinol-cytochrome c reductase complex (complex III or cytochrome b-c1 complex), which is part of the mitochondrial respiratory chain. This protein may mediate formation of the complex between cytochromes c and c1
UQCRC1
3p21.3
Mitochondrion; mitochondrial inner membrane
None
6.32
52646.0
Human
HUGO Gene Nomenclature Committee (HGNC)
HGNC:12585
GenAtlas
UQCRC1
GeneCards
UQCRC1
GenBank Gene Database
L16842
GenBank Protein Database
515634
UniProtKB
P31930
UniProt Accession
QCR1_HUMAN
Core I protein
EC 1.10.2.2
Ubiquinol-cytochrome-c reductase complex core protein 1, mitochondrial precursor
>Ubiquinol-cytochrome-c reductase complex core protein 1, mitochondrial precursor
MAASVVCRAATAGAQVLLRARRSPALLRTPALRSTATFAQALQFVPETQVSLLDNGLRVA
SEQSSQPTCTVGVWIDVGSRFETEKNNGAGYFLEHLAFKGTKNRPGSALEKEVESMGAHL
NAYSTREHTAYYIKALSKDLPKAVELLGDIVQNCSLEDSQIEKERDVILREMQENDASMR
DVVFNYLHATAFQGTPLAQAVEGPSENVRKLSRADLTEYLSTHYKAPRMVLAAAGGVEHQ
QLLDLAQKHLGGIPWTYAEDAVPTLTPCRFTGSEIRHRDDALPFAHVAIAVEGPGWASPD
NVALQVANAIIGHYDCTYGGGVHLSSPLASGAVANKLCQSFQTFSICYAETGLLGAHFVC
DRMKIDDMMFVLQGQWMRLCTSATESEVARGKNILRNALVSHLDGTTPVCEDIGRSLLTY
GRRIPLAEWESRIAEVDASVVREICSKYIYDQCPAVAGYGPIEQLPDYNRIRSGMFWLRF
>1443 bp
ATGGCGGCGTCCGTGGTCTGTCGGGCCGCTACCGCCGGGGCACAAGTGCTATTGCGCGCC
CGCCGCTCGCCGGCCCTGCTGCGGACGCCAGCCTTGCGGAGTACGGCAACCTTCGCTCAG
GCGCTCCAGTTCGTGCCGGAGACGCAGGTTAGCCTGCTGGACAACGGCCTGCGTGTGGCC
TCCGAGCAGTCCTCTCAGCCCACTTGCACGGTGGGAGTGTGGATTGATGTTGGCAGCCGT
TTTGAGACTGAGAAGAATAATGGGGCAGGCTACTTTTTGGAGCATCTGGCTTTCAAGGGA
ACAAAGAATCGGCCTGGCAGTGCCCTGGAGAAGGAGGTGGAGAGCATGGGGGCCCATCTT
AATGCCTACAGCACCCGGGAGCACACAGCTTACTACATCAAGGCGCTGTCCAAGGATCTG
CCGAAAGCTGTGGAGCTCCTGGGTGACATTGTGCAGAACTGTAGTCTGGAAGACTCACAG
ATTGAGAAGGAACGTGATGTGATCCTGCGGGAGATGCAGGAGAATGATGCATCTATGCGA
GATGTGGTCTTTAACTACCTGCATGCCACAGCATTCCAGGGCACACCTCTAGCCCAGGCT
GTGGAGGGGCCCAGTGAGAATGTCAGGAAGCTGTCTCGTGCAGACTTGACCGAGTACCTC
AGCACACATTACAAGGCCCCTCGAATGGTGCTGGCAGCAGCTGGAGGAGTGGAGCACCAG
CAACTGTTAGACCTCGCCCAGAAGCACCTCGGTGGCATCCCATGGACATATGCAGAGGAC
GCTGTGCCCACTCTTACTCCATGCCGCTTCACTGGCAGTGAGATCCGCCACCGTGATGAT
GCTCTACCTTTTGCCCACGTGGCCATTGCAGTAGAGGGTCCTGGCTGGGCCAGCCCGGAC
AGTGTGGCCTTGCAAGTGGCCAATGCCATCATCGGCCACTATGACTGCACTTATGGTGGT
GGCGTGCACCTGTCCAGCCCACTGGCTTCAGGTGCTGTGGCCAACAAGCTATGCCAGAGT
TTCCAGACCTTCAGCATCTGCTATGCAGAGACGGGCTTGCTGGGTGCACACTTTGTCTGT
GACCGAATGAAAATCGATGACATGATGTTCGTCCTGCAAGGGCAGTGGATGCGCCTGTGT
ACCAGTGCCACGGAGAGTGAGGTGGCCCGGGGCAAAAACATCCTCAGAAATGCCCTGGTA
TCTCATCTAGATGGCACTACTCCTGTGTGTGAGGACATCGGACGCAGCCTCCTGACCTAT
GGCCGCCGCATCCCCCTGGCTGAATGGGAAAGCCGGATTGCGGAGGTGGATGCCAGTGTG
GTACGTGAGATCTGCTCCAAGTACATCTATGACCAGTGCCCAGCAGTGGCTGGATATGGC
CCCATTGAGCAGCTCCCAGACTACAACCGGATCCGTAGCGGCATGTTCTGGCTGCGCTTC
TAG
PF00675
Peptidase_M16
PF05193
Peptidase_M16_C
function
hydrolase activity
function
peptidase activity
function
endopeptidase activity
function
metalloendopeptidase activity
function
catalytic activity
process
metabolism
process
macromolecule metabolism
process
protein metabolism
process
cellular protein metabolism
process
proteolysis
process
physiological process
"
|
| rdfs:label |
"Myxothiazol"
|
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines3/drugbank_small.nt
The resource does not appear as an object