Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB08733"
| Predicate | Value (sorted: none) |
|---|---|
| rdfs:label |
"(2R,3R)-N^1^-[(1S)-2,2-DIMETHYL-1-(METHYLCARBAMOYL)PROPYL]-N^4^-HYDROXY-2-(2-METHYLPROPYL)-3-{[(1,3-THIAZOL-2-YLCARBONYL)AMINO]METHYL}BUTANEDIAMIDE"
|
| rdf:type | |
| drugbank:description |
"
experimental
This compound belongs to the n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at his terminal nitrogen atom.
N-acyl-alpha Amino Acids and Derivatives
Organic Compounds
Organic Acids and Derivatives
Carboxylic Acids and Derivatives
Amino Acids, Peptides, and Analogues
Alpha Amino Acid Amides
N-acyl Amines
Beta Amino Acids and Derivatives
Thiazolecarboxamides
Hydroxamic Acids
Secondary Carboxylic Acid Amides
Carboxylic Acids
Enolates
Polyamines
beta amino acid or derivative
thiazolecarboxylic acid or derivative
thiazolecarboxamide
azole
thiazole
carboxamide group
secondary carboxylic acid amide
hydroxamic acid
carboxylic acid
polyamine
enolate
amine
organonitrogen compound
logP
0.88
ALOGPS
logS
-4.4
ALOGPS
Water Solubility
2.01e-02 g/l
ALOGPS
logP
0.52
ChemAxon
IUPAC Name
(2R,3R)-N-[(1S)-2,2-dimethyl-1-(methylcarbamoyl)propyl]-N'-hydroxy-2-(2-methylpropyl)-3-[(1,3-thiazol-2-ylformamido)methyl]butanediamide
ChemAxon
Traditional IUPAC Name
(2R,3R)-N-[(1S)-2,2-dimethyl-1-(methylcarbamoyl)propyl]-N'-hydroxy-2-(2-methylpropyl)-3-[(1,3-thiazol-2-ylformamido)methyl]butanediamide
ChemAxon
Molecular Weight
455.572
ChemAxon
Monoisotopic Weight
455.220239881
ChemAxon
SMILES
[H][C@@](CNC(=O)C1=NC=CS1)(C(=O)NO)[C@@]([H])(CC(C)C)C(=O)N[C@]([H])(C(=O)NC)C(C)(C)C
ChemAxon
Molecular Formula
C20H33N5O5S
ChemAxon
InChI
InChI=1S/C20H33N5O5S/c1-11(2)9-12(15(26)24-14(17(28)21-6)20(3,4)5)13(16(27)25-30)10-23-18(29)19-22-7-8-31-19/h7-8,11-14,30H,9-10H2,1-6H3,(H,21,28)(H,23,29)(H,24,26)(H,25,27)/t12-,13+,14-/m1/s1
ChemAxon
InChIKey
InChIKey=GAHIXYNNFMCKFQ-HZSPNIEDSA-N
ChemAxon
Polar Surface Area (PSA)
149.52
ChemAxon
Refractivity
115.67
ChemAxon
Polarizability
47.95
ChemAxon
Rotatable Bond Count
11
ChemAxon
H Bond Acceptor Count
6
ChemAxon
H Bond Donor Count
5
ChemAxon
pKa (strongest acidic)
8.85
ChemAxon
pKa (strongest basic)
0.38
ChemAxon
Physiological Charge
0
ChemAxon
Number of Rings
1
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
Ghose Filter
true
ChemAxon
PDB
WR2
BE0003872
Disintegrin and metalloproteinase domain-containing protein 28
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
Disintegrin and metalloproteinase domain-containing protein 28
Involved in metalloendopeptidase activity
May play a role in the adhesive and proteolytic events that occur during lymphocyte emigration or may function in ectodomain shedding of lymphocyte surface target proteins, such as FASL and CD40L. May be involved in sperm maturation
ADAM28
8p21.2
Isoform 2:Secreted
666-686
6.8
87180.0
Human
HUGO Gene Nomenclature Committee (HGNC)
GNC:206
GeneCards
ADAM28
GenBank Gene Database
AF137334
GenBank Protein Database
4583505
UniProtKB
Q9UKQ2
UniProt Accession
ADA28_HUMAN
ADAM 28
eMDC II
Epididymial metalloproteinase-like, disintegrin-like, and cysteine-rich protein II
MDC-L
Metalloproteinase-like, disintegrin-like, and cysteine-rich protein L
>Disintegrin and metalloproteinase domain-containing protein 28
MLQGLLPVSLLLSVAVSAIKELPGVKKYEVVYPIRLHPLHKREAKEPEQQEQFETELKYK
MTINGKIAVLYLKKNKNLLAPGYTETYYNSTGKEITTSPQIMDDCYYQGHILNEKVSDAS
ISTCRGLRGYFSQGDQRYFIEPLSPIHRDGQEHALFKYNPDEKNYDSTCGMDGVLWAHDL
QQNIALPATKLVKLKDRKVQEHEKYIEYYLVLDNGEFKRYNENQDEIRKRVFEMANYVNM
LYKKLNTHVALVGMEIWTDKDKIKITPNASFTLENFSKWRGSVLSRRKRHDIAQLITATE
LAGTTVGLAFMSTMCSPYSVGVVQDHSDNLLRVAGTMAHEMGHNFGMFHDDYSCKCPSTI
CVMDKALSFYIPTDFSSCSRLSYDKFFEDKLSNCLFNAPLPTDIISTPICGNQLVEMGED
CDCGTSEECTNICCDAKTCKIKATFQCALGECCEKCQFKKAGMVCRPAKDECDLPEMCNG
KSGNCPDDRFQVNGFPCHHGKGHCLMGTCPTLQEQCTELWGPGTEVADKSCYNRNEGGSK
YGYCRRVDDTLIPCKANDTMCGKLFCQGGSDNLPWKGRIVTFLTCKTFDPEDTSQEIGMV
ANGTKCGDNKVCINAECVDIEKAYKSTNCSSKCKGHAVCDHELQCQCEEGWIPPDCDDSS
VVFHFSIVVGVLFPMAVIFVVVAMVIRHQSSREKQKKDQRPLSTTGTRPHKQKRKPQMVK
AVQPQEMSQMKPHVYDLPVEGNEPPASFHKDTNALPPTVFKDNPMSTPKDSNPEA
>2328 bp
ATGTTGCAAGGTCTCCTGCCAGTCAGTCTCCTCCTCTCTGTTGCAGTAAGTGCTATAAAA
GAACTCCCTGGGGTGAAGAAGTATGAAGTGGTTTATCCTATAAGACTTCATCCACTGCAT
AAAAGAGAGGCCAAAGAGCCAGAGCAACAGGAACAATTTGAAACTGAATTAAAGTATAAA
ATGACAATTAATGGAAAAATTGCAGTGCTTTATTTGAAAAAAAACAAGAACCTCCTTGCA
CCAGGCTACACGGAAACATATTATAATTCCACTGGAAAGGAGATCACCACAAGCCCACAA
ATTATGGATGATTGTTATTATCAAGGACATATTCTTAATGAAAAGGTTTCTGACGCTAGC
ATCAGCACATGTAGGGGTCTAAGGGGCTACTTCAGTCAGGGGGATCAAAGATACTTTATT
GAACCTTTAAGCCCCATACATCGGGATGGACAGGAGCATGCACTCTTCAAGTATAACCCT
GATGAAAAGAATTATGACAGCACCTGTGGGATGGATGGTGTGTTGTGGGCCCACGATTTG
CAGCAGAACATTGCCCTACCTGCCACCAAACTAGTAAAATTGAAAGACAGGAAGGTTCAG
GAACATGAGAAATACATAGAATATTATCTGGTCCTGGATAATGGTGAGTTTAAAAGGTAC
AATGAGAATCAAGATGAGATCAGAAAGAGGGTATTTGAGATGGCTAATTATGTCAACATG
CTTTATAAAAAGCTCAATACTCATGTGGCCTTAGTTGGTATGGAAATCTGGACTGACAAG
GATAAGATAAAGATAACCCCAAATGCAAGCTTCACCTTGGAGAATTTTTCTAAATGGAGG
GGGAGTGTTCTCTCAAGAAGAAAGCGTCATGATATTGCTCAGTTAATCACAGCAACAGAA
CTTGCTGGAACGACTGTGGGTCTTGCATTTATGTCTACAATGTGTTCTCCTTATTCTGTT
GGCGTTGTTCAGGACCACAGCGATAATCTTCTTAGAGTTGCAGGGACAATGGCACATGAA
ATGGGCCACAACTTTGGAATGTTTCATGACGACTATTCTTGCAAGTGTCCTTCTACAATA
TGTGTGATGGACAAAGCACTGAGCTTCTATATACCCACAGACTTCAGTTCCTGCAGCCGT
CTCAGCTATGACAAGTTTTTTGAAGATAAATTATCAAATTGCCTCTTTAATGCTCCATTG
CCTACAGATATCATATCCACTCCAATTTGTGGGAACCAGTTGGTGGAAATGGGAGAGGAC
TGTGATTGTGGGACATCTGAGGAATGTACCAATATTTGCTGTGATGCTAAGACATGTAAA
ATCAAAGCAACTTTTCAATGTGCATTAGGAGAATGTTGTGAAAAATGCCAATTTAAAAAG
GCTGGGATGGTGTGCAGACCAGCAAAAGATGAGTGCGACCTGCCTGAAATGTGTAATGGT
AAATCTGGTAATTGTCCTGATGATAGATTCCAAGTCAATGGCTTCCCTTGCCATCACGGG
AAGGGCCACTGCTTGATGGGCACATGCCCCACACTGCGGGAGCAGTGCACAGAGCTGTGG
GGACCAGGAACTGAGGTTGCAGATAAGTCATGTTACAACAGGAATGAAGGTGGGTCAAAG
TACGGGTACTGTCGCAGAGTGGATGACACACTCATTCCCTGCAAAGCAAATGATACCATG
TGTGGGAAGTTGTTCTGTCAAGGTGGGTCGGATAATTTGCCCTGGAAAGGACGGATAGTG
ACTTTCCTGACATGTAAAACATTTGATCCTGAAGACACAAGTCAAGAAATAGGCATGGTG
GCCAATGGAACTAAGTGTGGCGATAACAAGGTTTGCATTAATGCAGAATGTGTGGATATT
GAGAAAGCCTACAAATCAACCAATTGCTCATCCAAGTGCAAAGGACATGCTGTGTGTGAC
CATGAGCTCCAGTGTCAATGTGAGGAAGGATGGATCCCTCCCGACTGCGATGACTCCTCA
GTGGTCTTCCACTTCTCCATTGTGGTTGGGGTGCTGTTCCCAATGGCGGTCATTTTTGTG
GTGGTTGCTATGGTAATCCGGCACCAGAGCTCCAGAGAAAAGCAGAAGAAAGATCAGAGG
CCACTATCTACCACTGGCACCAGGCCACACAAACAGAAGAGGAAACCCCAGATGGTAAAG
GCTGTTCAACCCCAAGAGATGAGTCAGATGAAGCCCCATGTGTATGATCTGCCAGTAGAA
GGCAATGAGCCCCCAGCCTCTTTTCATAAAGACACAAACGCACTTCCCCCTACTGTTTTC
AAGGATAATCCAATGTCTACACCTAAGGACTCAAATCCAGAAGCATGA
PF01562
Pep_M12B_propep
PF01421
Reprolysin
PF00200
Disintegrin
PF08516
ADAM_CR
component
extracellular matrix
component
extracellular matrix (sensu Metazoa)
function
ion binding
function
metallopeptidase activity
function
cation binding
function
metalloendopeptidase activity
function
transition metal ion binding
function
zinc ion binding
function
binding
function
catalytic activity
function
peptidase activity
function
hydrolase activity
function
endopeptidase activity
process
macromolecule metabolism
process
proteolysis
process
physiological process
process
protein metabolism
process
cellular protein metabolism
process
metabolism
"
|
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines3/drugbank_small.nt
The resource does not appear as an object