Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB07487"
| Predicate | Value (sorted: none) |
|---|---|
| rdfs:label |
"(6-METHYL-3,4-DIHYDRO-2H-CHROMEN-2-YL)METHYLPHOSPHINATE"
|
| drugbank:description |
"
experimental
This compound belongs to the benzopyrans. These are organic compounds containing a benzene ring fused to a pyran ring.
Benzopyrans
Organic Compounds
Heterocyclic Compounds
Benzopyrans
Toluenes
Alkyl Aryl Ethers
Polyamines
alkyl aryl ether
toluene
benzene
ether
polyamine
logP
1.9
ALOGPS
logS
-2.6
ALOGPS
Water Solubility
6.45e-01 g/l
ALOGPS
logP
1.6
ChemAxon
IUPAC Name
{[(2S)-6-methyl-3,4-dihydro-2H-1-benzopyran-2-yl]methyl}phosphinate
ChemAxon
Traditional IUPAC Name
[(2S)-6-methyl-3,4-dihydro-2H-1-benzopyran-2-yl]methylphosphinate
ChemAxon
Molecular Weight
225.2008
ChemAxon
Monoisotopic Weight
225.068055826
ChemAxon
SMILES
[H][C@@]1(C[P@@]([H])([O-])=O)CCC2=CC(C)=CC=C2O1
ChemAxon
Molecular Formula
C11H14O3P
ChemAxon
InChI
InChI=1S/C11H15O3P/c1-8-2-5-11-9(6-8)3-4-10(14-11)7-15(12)13/h2,5-6,10,15H,3-4,7H2,1H3,(H,12,13)/p-1/t10-/m0/s1
ChemAxon
InChIKey
InChIKey=QTHZTDVLJRQOGF-JTQLQIEISA-M
ChemAxon
Polar Surface Area (PSA)
49.36
ChemAxon
Refractivity
57.51
ChemAxon
Polarizability
22.81
ChemAxon
Rotatable Bond Count
2
ChemAxon
H Bond Acceptor Count
3
ChemAxon
H Bond Donor Count
0
ChemAxon
pKa (strongest acidic)
2.19
ChemAxon
pKa (strongest basic)
-4.9
ChemAxon
Physiological Charge
-1
ChemAxon
Number of Rings
2
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
Ghose Filter
true
ChemAxon
PubChem Compound
5287837
PubChem Substance
99443958
ChemSpider
21542332
PDB
BR3
BE0003783
Thermolysin
Bacillus thermoproteolyticus
# 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
Thermolysin
Amino acid transport and metabolism
Extracellular zinc metalloprotease
npr
Secreted
None
5.63
60103.5
Bacillus thermoproteolyticus
GeneCards
npr
GenBank Gene Database
X76986
GenBank Protein Database
441267
UniProtKB
P00800
UniProt Accession
THER_BACTH
Thermostable neutral proteinase
>Thermolysin
MKMKMKLASFGLAAGLAAQVFLPYNALASTEHVTWNQQFQTPQFISGDLLKVNGTSPEEL
VYQYVEKNENKFKFHENAKDTLQLKEKKNDNLGFTFMRFQQTYKGIPVFGAVVTSHVKDG
TLTALSGTLIPNLDTKGSLKSGKKLSEKQARDIAEKDLVANVTKEVPEYEQGKDTEFVVY
VNGDEASLAYVVNLNFLTPEPGNWLYIIDAVDGKILNKFNQLDAAKPGDVKSITGTSTVG
VGRGVLGDQKNINTTYSTYYYLQDNTRGNGIFTYDAKYRTTLPGSLWADADNQFFASYDA
PAVDAHYYAGVTYDYYKNVHNRLSYDGNNAAIRSSVHYSQGYNNAFWNGSQMVYGDGDGQ
TFIPLSGGIDVVAHELTHAVTDYTAGLIYQNESGAINEAISDIFGTLVEFYANKNPDWEI
GEDVYTPGISGDSLRSMSDPAKYGDPDHYSKRYTGTQDNGGVHINSGIINKAAYLISQGG
THYGVSVVGIGRDKLGKIFYRALTQYLTPTSNFSQLRAAAVQSATDLYGSTSQEVASVKQ
AFDAVGVK
>1647 bp
ATGAAAATGAAAATGAAATTAGCATCGTTTGGTCTTGCAGCAGGACTAGCGGCCCAAGTA
TTTTTACCTTACAATGCGCTGGCTTCAACGGAACACGTTACATGGAACCAACAATTTCAA
ACCCCTCAATTCATCTCCGGTGATCTGCTGAAAGTGAATGGCACATCCCCAGAAGAACTC
GTCTATCAATATGTTGAAAAAAACGAAAACAAGTTTAAATTTCATGAAAACGCTAAGGAT
ACTCTACAATTGAAAGAAAAGAAAAATGATAACCTTGGTTTTACGTTTATGCGCTTCCAA
CAAACGTATAAAGGGATTCCTGTGTTTGGAGCAGTAGTAACGTCGCACGTGAAAGATGGC
ACGCTGACGGCGCTATCAGGGACACTGATTCCGAATTTGGACACGAAAGGATCCTTAAAA
AGCGGGAAGAAATTGAGTGAGAAACAAGCGCGTGACATTGCTGAAAAAGATTTAGTGGCA
AATGTAACAAAGGAAGTACCGGAATATGAACAGGGAAAAGACACCGAGTTTGTTGTTTAT
GTCAATGGGGACGAGGCTTCTTTAGCGTACGTTGTCAATTTAAACTTTTTAACTCCTGAA
CCAGGAAACTGGCTGTATATCATTGATGCCGTAGACGGAAAAATTTTAAATAAATTTAAC
CAACTTGACGCCGCAAAACCAGGTGATGTGAAGTCGATAACAGGAACATCAACTGTCGGA
GTGGGAAGAGGAGTACTTGGTGATCAAAAAAATATTAATACAACCTACTCTACGTACTAC
TATTTACAAGATAATACGCGTGGAAATGGGATTTTCACGTATGATGCGAAATACCGTACG
ACATTGCCGGGAAGCTTATGGGCAGATGCAGATAACCAATTTTTTGCGAGCTATGATGCT
CCAGCGGTTGATGCTCATTATTACGCTGGTGTGACATATGACTACTATAAAAATGTTCAT
AACCGTCTCAGTTACGACGGAAATAATGCAGCTATTAGATCATCCGTTCATTATAGCCAA
GGCTATAATAACGCATTTTGGAACGGTTCGCAAATGGTGTATGGCGATGGTGATGGTCAA
ACATTTATTCCACTTTCTGGTGGTATTGATGTGGTCGCACATGAGTTAACGCATGCGGTA
ACCGATTATACAGCCGGACTCATTTATCAAAACGAATCTGGTGCAATTAATGAGGCAATG
TCTGATATTTTTGGAACGTTAGTCAAATTTTACGCTAACAAAAATCCAGATTGGGAAATT
GGAGAGGATGTGTATACACCTGGTATTTCAGGGGATTCGCTCCGTTCGATGTCCGATCCG
GCAAAGTATGGTGATCCAGATCACTATTCAAAGCGCTATACAGGCACGCAAGATAATGGC
GGGGTTCATATCAATAGCGGAATTATCAACAAAGCCGCTTATTTGATTAGCCAAGGCGGT
ACGCATTACGGTGTGAGTGTTGTCGGAATCGGACGCGATAAATTGGGGAAAATTTTCTAT
CGTGCATTAACGCAATATTTAACACCAACGTCCAACTTTAGCCAACTTCGTGCTGCCGCT
GTTCAATCAGCCACTGACTTGTACGGTTCGACAAGCCAGGAAGTCGCTTCTGTGAAGCAG
GCCTTTGATGCGGTAGGGGTGAAATAA
PF07504
FTP
PF03413
PepSY
PF01447
Peptidase_M4
PF02868
Peptidase_M4_C
component
extracellular region
function
metallopeptidase activity
function
ion binding
function
metalloendopeptidase activity
function
cation binding
function
transition metal ion binding
function
zinc ion binding
function
binding
function
peptidase activity
function
catalytic activity
function
endopeptidase activity
function
hydrolase activity
process
macromolecule metabolism
process
protein metabolism
process
cellular protein metabolism
process
physiological process
process
metabolism
process
proteolysis
"
|
| 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