Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB08482"
| Predicate | Value (sorted: none) |
|---|---|
| rdfs:label |
"[[1-[N-HYDROXY-ACETAMIDYL]-3-METHYL-BUTYL]-CARBONYL-LEUCINYL]-ALANINE ETHYL ESTER"
|
| 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
Alpha Amino Acid Esters
N-acyl-alpha Amino Acids and Derivatives
Alpha Amino Acid Amides
N-acyl Amines
Secondary Carboxylic Acid Amides
Hydroxamic Acids
Carboxylic Acid Esters
Carboxylic Acids
Enolates
Polyamines
Ethers
n-acyl-alpha amino acid or derivative
alpha-amino acid ester
n-acyl-amine
alpha-amino acid amide
alpha-amino acid or derivative
carboxamide group
secondary carboxylic acid amide
carboxylic acid ester
hydroxamic acid
polyamine
carboxylic acid
ether
enolate
amine
organonitrogen compound
logP
1.14
ALOGPS
logS
-3.1
ALOGPS
Water Solubility
3.02e-01 g/l
ALOGPS
logP
1.19
ChemAxon
IUPAC Name
ethyl (2S)-2-[(2S)-2-[(2R)-3-(hydroxycarbamoyl)-2-(2-methylpropyl)propanamido]-4-methylpentanamido]propanoate
ChemAxon
Traditional IUPAC Name
ethyl (2S)-2-[(2S)-2-[(2R)-3-(hydroxycarbamoyl)-2-(2-methylpropyl)propanamido]-4-methylpentanamido]propanoate
ChemAxon
Molecular Weight
401.4977
ChemAxon
Monoisotopic Weight
401.252585867
ChemAxon
SMILES
[H][C@@](C)(NC(=O)[C@]([H])(CC(C)C)NC(=O)[C@]([H])(CC(C)C)CC(=O)NO)C(=O)OCC
ChemAxon
Molecular Formula
C19H35N3O6
ChemAxon
InChI
InChI=1S/C19H35N3O6/c1-7-28-19(26)13(6)20-18(25)15(9-12(4)5)21-17(24)14(8-11(2)3)10-16(23)22-27/h11-15,27H,7-10H2,1-6H3,(H,20,25)(H,21,24)(H,22,23)/t13-,14+,15-/m0/s1
ChemAxon
InChIKey
InChIKey=XKRONJXEXGFBRZ-ZNMIVQPWSA-N
ChemAxon
Polar Surface Area (PSA)
133.83
ChemAxon
Refractivity
103.24
ChemAxon
Polarizability
43.31
ChemAxon
Rotatable Bond Count
13
ChemAxon
H Bond Acceptor Count
5
ChemAxon
H Bond Donor Count
4
ChemAxon
pKa (strongest acidic)
8.9
ChemAxon
pKa (strongest basic)
-0.4
ChemAxon
Physiological Charge
0
ChemAxon
Number of Rings
0
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
Ghose Filter
true
ChemAxon
PubChem Compound
5487313
PubChem Substance
99444953
ChemSpider
4589311
PDB
RO4
BE0000920
Interstitial collagenase
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
Interstitial collagenase
Involved in collagenase activity
Cleaves collagens of types I, II, and III at one site in the helical domain. Also cleaves collagens of types VII and X. In case of HIV infection, interacts and cleaves the secreted viral Tat protein, leading to a decrease in neuronal Tat's mediated neurotoxicity
MMP1
11q22.3
Secreted protein
None
6.97
54007.0
Human
HUGO Gene Nomenclature Committee (HGNC)
HGNC:7155
GenAtlas
MMP1
GeneCards
MMP1
GenBank Gene Database
X54925
GenBank Protein Database
30126
UniProtKB
P03956
UniProt Accession
MMP1_HUMAN
EC 3.4.24.7
Fibroblast collagenase
Interstitial collagenase precursor
Matrix metalloproteinase-1
MMP-1
>Interstitial collagenase precursor
MHSFPPLLLLLFWGVVSHSFPATLETQEQDVDLVQKYLEKYYNLKNDGRQVEKRRNSGPV
VEKLKQMQEFFGLKVTGKPDAETLKVMKQPRCGVPDVAQFVLTEGNPRWEQTHLTYRIEN
YTPDLPRADVDHAIEKAFQLWSNVTPLTFTKVSEGQADIMISFVRGDHRDNSPFDGPGGN
LAHAFQPGPGIGGDAHFDEDERWTNNFREYNLHRVAAHELGHSLGLSHSTDIGALMYPSY
TFSGDVQLAQDDIDGIQAIYGRSQNPVQPIGPQTPKACDSKLTFDAITTIRGEVMFFKDR
FYMRTNPFYPEVELNFISVFWPQLPNGLEAAYEFADRDEVRFFKGNKYWAVQGQNVLHGY
PKDIYSSFGFPRTVKHIDAALSEENTGKTYFFVANKYWRYDEYKRSMDPGYPKMIAHDFP
GIGHKVDAVFMKDGFFYFFHGTRQYKFDPKTKRILTLQKANSWFNCRKN
>1410 bp
ATGCACAGCTTTCCTCCACTGCTGCTGCTGCTGTTCTGGGGTGTGGTGTCTCACAGCTTC
CCAGCGACTCTAGAAACACAAGAGCAAGATGTGGACTTAGTCCAGAAATACCTGGAAAAA
TACTACAACCTGAAGAATGATGGGAGGCAAGTTGAAAAGCGGAGAAATAGTGGCCCAGTG
GTTGAAAAATTGAAGCAAATGCAGGAATTCTTTGGGCTGAAAGTGACTGGGAAACCAGAT
GCTGAAACCCTGAAGGTGATGAAGCAGCCCAGATGTGGAGTGCCTGATGTGGCTCAGTTT
GTCCTCACTGAGGGGAACCCTCGCTGGGAGCAAACACATCTGACCTACAGGATTGAAAAT
TACACGCCAGATTTGCCAAGAGCAGATGTGGACCATGCCATTGAGAAAGCCTTCCAACTC
TGGAGTAATGTCACACCTCTGACATTCACCAAGGTCTCTGAGGGTCAAGCAGACATCATG
ATATCTTTTGTCAGGGGAGATCATCGGGACAACTCTCCTTTTGATGGACCTGGAGGAAAT
CTTGCTCATGCTTTTCAACCAGGCCCAGGTATTGGAGGGGATGCTCATTTTGATGAAGAT
GAAAGGTGGACCAACAATTTCAGAGAGTACAACTTACATCGTGTTGCGGCTCATGAACTC
GGCCATTCTCTTGGACTCTCCCATTCTACTGATATCGGGGCTTTGATGTACCCTAGCTAC
ACCTTCAGTGGTGATGTTCAGCTAGCTCAGGATGACATTGATGGCATCCAAGCCATATAT
GGACGTTCCCAAAATCCTGTCCAGCCCATCGGCCCACAAACCCCAAAAGCATGTGACAGT
AAGCTAACCTTTGATGCTATAACTACGATTCGGGGAGAAGTGATGTTCTTTAAAGACAGA
TTCTACATGCGCACAAATCCCTTCTACCCGGAAGTTGAGCTCAATTTCATTTCTGTTTTC
TGGCCACAACTGCCAAATGGGCTTGAAGCTGCTTACGAATTTGCCGACAGAGATGAAGTC
CGGTTTTTCAAAGGGAATAAGTACTGGGCTGTTCAGGGACAGAATGTGCTACACGGATAC
CCCAAGGACATCTACAGCTCCTTTGGCTTCCCTAGAACTGTGAAGCATATCGATGCTGCT
CTTTCTGAGGAAAACACTGGAAAAACCTACTTCTTTGTTGCTAACAAATACTGGAGGTAT
GATGAATATAAACGATCTATGGATCCAGGTTATCCCAAAATGATAGCACATGACTTTCCT
GGAATTGGCCACAAAGTTGATGCAGTTTTCATGAAAGATGGATTTTTCTATTTCTTTCAT
GGAACAAGACAATACAAATTTGATCCTAAAACGAAGAGAATTTTGACTCTCCAGAAAGCT
AATAGCTGGTTCAACTGCAGGAAAAATTGA
PF00045
Hemopexin
PF00413
Peptidase_M10
PF01471
PG_binding_1
component
extracellular matrix (sensu Metazoa)
component
extracellular matrix
function
catalytic activity
function
hydrolase activity
function
ion binding
function
peptidase activity
function
cation binding
function
endopeptidase activity
function
transition metal ion binding
function
metallopeptidase activity
function
zinc ion binding
function
metalloendopeptidase activity
function
binding
process
physiological process
process
protein metabolism
process
metabolism
process
cellular protein metabolism
process
cellular carbohydrate metabolism
process
macromolecule metabolism
process
peptidoglycan metabolism
process
proteolysis
process
carbohydrate metabolism
"
|
| 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