Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB04237"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"Tris(Hydroxyethyl)Aminomethane"
|
| rdf:type | |
| drugbank:description |
"
experimental
This compound belongs to the polyols. These are organic compounds containing more than one hydroxyl groups.
Polyols
Organic Compounds
Organooxygen Compounds
Alcohols and Polyols
Polyols
Primary Alcohols
Polyamines
Monoalkylamines
polyamine
primary alcohol
primary amine
amine
primary aliphatic amine
organonitrogen compound
logP
-1.6
ALOGPS
logS
0.25
ALOGPS
Water Solubility
2.91e+02 g/l
ALOGPS
logP
-2.5
ChemAxon
IUPAC Name
3-amino-3-(2-hydroxyethyl)pentane-1,5-diol
ChemAxon
Traditional IUPAC Name
3-amino-3-(2-hydroxyethyl)pentane-1,5-diol
ChemAxon
Molecular Weight
163.2148
ChemAxon
Monoisotopic Weight
163.120843415
ChemAxon
SMILES
NC(CCO)(CCO)CCO
ChemAxon
Molecular Formula
C7H17NO3
ChemAxon
InChI
InChI=1S/C7H17NO3/c8-7(1-4-9,2-5-10)3-6-11/h9-11H,1-6,8H2
ChemAxon
InChIKey
InChIKey=GKODZWOPPOTFGA-UHFFFAOYSA-N
ChemAxon
Polar Surface Area (PSA)
86.71
ChemAxon
Refractivity
42.95
ChemAxon
Polarizability
17.91
ChemAxon
Rotatable Bond Count
6
ChemAxon
H Bond Acceptor Count
4
ChemAxon
H Bond Donor Count
4
ChemAxon
pKa (strongest acidic)
15.44
ChemAxon
pKa (strongest basic)
9.63
ChemAxon
Physiological Charge
1
ChemAxon
Number of Rings
0
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
PubChem Compound
448009
PubChem Substance
46506740
PDB
TAM
BE0001671
Alpha-amylase 1
Human
# 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
Alpha-amylase 1
Carbohydrate transport and metabolism
Endohydrolysis of 1,4-alpha-D-glucosidic linkages in oligosaccharides and polysaccharides
AMY1A
1p21
Secreted protein
None
6.92
57768.0
Human
HUGO Gene Nomenclature Committee (HGNC)
HGNC:474
GenAtlas
AMY1A
GeneCards
AMY1A
GenBank Gene Database
M18786
GenBank Protein Database
178585
UniProtKB
P04745
UniProt Accession
AMY1_HUMAN
1,4-alpha-D-glucan glucanohydrolase
EC 3.2.1.1
Salivary alpha-amylase precursor
>Salivary alpha-amylase precursor
MKLFWLLFTIGFCWAQYSSNTQQGRTSIVHLFEWRWVDIALECERYLAPKGFGGVQVSPP
NENVAIHNPFRPWWERYQPVSYKLCTRSGNEDEFRNMVTRCNNVGVRIYVDAVINHMCGN
AVSAGTSSTCGSYFNPGSRDFPAVPYSGWDFNDGKCKTGSGDIENYNDATQVRDCRLSGL
LDLALGKDYVRSKIAEYMNHLIDIGVAGFRIDASKHMWPGDIKAILDKLHNLNSNWFPEG
SKPFIYQEVIDLGGEPIKSSDYFGNGRVTEFKYGAKLGTVIRKWNGEKMSYLKNWGEGWG
FMPSDRALVFVDNHDNQRGHGAGGASILTFWDARLYKMAVGFMLAHPYGFTRVMSSYRWP
RYFENGKDVNDWVGPPNDNGVTKEVTINPDTTCGNDWVCEHRWRQIRNMVNFRNVVDGQP
FTNWYDNGSNQVAFGRGNRGFIVFNNDDWTFSLTLQTGLPAGTYCDVISGDKINGNCTGI
KIYVSDDGKAHFSISNSAEDPFIAIHAESKL
>1536 bp
ATGAAGCTCTTTTGGTTGCTTTTCACCATTGGGTTCTGCTGGGCTCAGTATTCCTCAAAT
ACACAACAAGGACGAACATCTATTGTTCATCTGTTTGAATGGCGATGGGTTGATATTGCT
CTTGAATGTGAGCGATATTTAGCTCCCAAGGGATTTGGAGGGGTTCAGGTCTCTCCACCA
AATGAAAATGTTGCCATTCACAACCCTTTCAGACCTTGGTGGGAAAGATACCAACCAGTT
AGCTATAAATTATGCACAAGATCTGGAAATGAAGATGAATTTAGAAACATGGTGACTAGA
TGCAACAATGTTGGGGTTCGTATTTATGTGGATGCTGTAATTAATCATATGTGTGGTAAT
GCTGTGAGTGCAGGAACAAGCAGTACCTGTGGAAGTTACTTCAACCCTGGAAGTAGGGAC
TTTCCAGCAGTCCCATATTCTGGATGGGATTTTAATGATGGTAAATGTAAAACTGGAAGT
GGAGATATCGAGAACTATAATGATGCTACTCAGGTCAGAGATTGTCGTCTGTCTGGTCTT
CTCGATCTTGCACTGGGGAAGGATTATGTGCGTTCTAAGATTGCCGAATATATGAACCAT
CTCATTGACATTGGTGTTGCAGGGTTCAGAATTGATGCTTCCAAGCACATGTGGCCTGGA
GACATAAAGGCAATTTTGGACAAACTGCATAATCTAAACAGTAACTGGTTCCCGGAAGGT
AGTAAACCTTTCATTTACCAGGAGGTAATTGATCTGGGTGGTGAGCCAATTAAAAGCAGT
GACTACTTTGGTAATGGCCGGGTGACAGAATTCAAGTATGGTGCAAAACTCGGCACAGTT
ATTCGCAAGTGGAATGGAGAGAAGATGTCTTACTTAAAGAACTGGGGAGAAGGTTGGGGT
TTCATGCCTTCTGACAGAGCGCTTGTCTTTGTGGATAACCATGACAATCAACGAGGACAT
GGCGCTGGAGGAGCCTCTATACTTACCTTCTGGGATGCTAGGCTGTACAAAATGGCAGTT
GGATTTATGCTTGCTCATCCTTATGGATTTACACGAGTAATGTCAAGCTACCGTTGGCCA
AGATATTTTGAAAATGGAAANGATGTTAATGATTGGGTTGGGCCACCAAATGATAATGGA
GTAACTAAAGAAGTTACTATTAATCCAGACACTACTTGTGGCAATGACTGGGTCTGTGAA
CATCGATGGCGCCAAATAAGGAACATGGTTAATTTCCGCAATGTAGTGGATGGCCAGCCT
TTTACAAACTGGTATGATAATGGGAGCAACCAAGTGGCTTTTGGGAGAGGAAACAGAGGA
TTCATTGTTTTCAACAATGATGACTGGACATTTTCTTTAACTTTGCAAACTGGTCTTCCT
GCTGGCACATACTGTGATGTCATTTCTGGAGATAAAATTAATGGCAACTGCACAGGCATT
AAAATCTACGTTTCTGATGATGGCAAAGCTCATTTTTCTATTAGTAACTCTGCTGAAGAT
CCATTTATTGCAATTCATGCTGAATCTAAATTGTAA
PF00128
Alpha-amylase
PF02806
Alpha-amylase_C
function
hydrolase activity, acting on glycosyl bonds
function
hydrolase activity, hydrolyzing O-glycosyl compounds
function
amylase activity
function
alpha-amylase activity
function
catalytic activity
function
hydrolase activity
process
carbohydrate metabolism
process
physiological process
process
metabolism
process
macromolecule metabolism
BE0001976
Chlorocatechol 1,2-dioxygenase
Rhodococcus opacus
# 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
Chlorocatechol 1,2-dioxygenase
Secondary metabolites biosynthesis, transport and catabolism
4-chlorocatechol + O(2) = 3-chloro-muconate
clcA
None
4.53
28953.0
Rhodococcus opacus
GenBank Gene Database
AF003948
GenBank Protein Database
2935033
UniProtKB
O67987
UniProt Accession
CLCA_RHOOP
EC 1.13.11.-
>Chlorocatechol 1,2-dioxygenase
MANTRVIELFDEFTDLIRDFIVRHEITTPEYETIMQYMISVGEAGEWPLWLDAFFETTVD
SVSYGKGNWTSSAIQGPFFKEGAPLLTGKPATLPMRADEPGDRMRFTGSVRDTSGTPITG
AVIDVWHSTNDGNYSFFSPALPDQYLLRGRVVPAEDGSIEFHSIRPVPYEIPKAGPTGQL
MNSYLGRHSWRPAHIHIRITADGYRPLITQLYFEGDPYLDSDSCSAVKSELVLPVNKIDI
DGETWQLVDFNFILQHN
>774 bp
ATGGCCAATACACGCGTGATCGAGTTGTTCGACGAATTCACCGATCTCATCCGTGATTTC
ATCGTCCGTCACGAGATCACCACACCGGAGTACGAAACGATCATGCAATACATGATCAGC
GTCGGCGAGGCCGGCGAGTGGCCGCTGTGGCTCGACGCGTTCTTCGAAACCACCGTCGAC
TCCGTGAGCTACGGCAAGGGAAACTGGACCTCCAGTGCGATCCAAGGACCGTTCTTCAAA
GAAGGTGCCCCGCTGCTGACCGGCAAACCGGCCACCCTGCCGATGCGGGCAGACGAGCCT
GGCGACCGGATGCGGTTCACCGGGAGCGTGCGCGACACGTCGGGAACTCCGATCACCGGC
GCGGTCATCGATGTGTGGCACTCCACCAACGACGGCAACTACAGCTTTTTCTCCCCCGCT
CTGCCCGACCAGTACCTGCTGCGCGGCAGGGTCGTCCCCGCCGAAGACGGCAGCATCGAG
TTCCACAGCATCCGACCGGTGCCCTACGAAATCCCGAAAGCTGGCCCCACGGGCCAGCTC
ATGAACTCATACCTCGGCCGGCACTCCTGGCGCCCCGCACACATCCACATCCGCATCACC
GCCGACGGGTACCGGCCACTGATCACCCAGCTCTACTTCGAGGGCGACCCGTACCTGGAC
AGCGACTCCTGCTCGGCAGTCAAGAGCGAACTGGTTCTGCCGGTCAACAAGATCGACATC
GACGGCGAAACATGGCAGCTAGTCGACTTCAACTTCATTCTCCAGCACAACTGA
PF00775
Dioxygenase_C
PF04444
Dioxygenase_N
function
catalytic activity
function
oxidoreductase activity, acting on single donors with incorporation of molecular oxygen
function
oxidoreductase activity, acting on single donors with incorporation of molecular oxygen, incorporation of two atoms of oxygen
function
catechol dioxygenase activity
function
oxidoreductase activity
function
catechol 1,2-dioxygenase activity
function
ion binding
function
cation binding
function
transition metal ion binding
function
iron ion binding
function
binding
function
ferric iron binding
process
amino acid derivative metabolism
process
metabolism
process
cellular metabolism
process
amino acid and derivative metabolism
process
phenylpropanoid metabolism
process
catechol metabolism
process
aromatic compound metabolism
process
physiological process
BE0001968
Alpha-lytic protease
Lysobacter enzymogenes
# 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
Alpha-lytic protease
Involved in serine-type peptidase activity
Preferential cleavage:Ala-|-Xaa, Val-|-Xaa in bacterial cell walls, elastin and other proteins
alpha-LP
Cytoplasmic
None
9.61
41078.0
Lysobacter enzymogenes
GenBank Gene Database
J04052
GenBank Protein Database
150130
UniProtKB
P00778
UniProt Accession
PRLA_LYSEN
Alpha-lytic endopeptidase
Alpha-lytic protease precursor
EC 3.4.21.12
>Alpha-lytic protease precursor
MYVSNHRSRRVARVSVSCLVAALAAMSCGAALAADQVDPQLKFAMQRDLGIFPTQLPQYL
QTEKLARTQAAAIEREFGAQFAGSWIERNEDGSFKLVAATSGARKSSTLGGVEVRNVRYS
LKQLQSAMEQLDAGANARVKGVSKPLDGVQSWYVDPRSNAVVVKVDDGATEAGVDFVALS
GADSAQVRIESSPGKLQTTANIVGGIEYSINNASLCSVGFSVTRGATKGFVTAGHCGTVN
ATARIGGAVVGTFAARVFPGNDRAWVSLTSAQTLLPRVANGSSFVTVRGSTEAAVGAAVC
RSGRTTGYQCGTITAKNVTANYAEGAVRGLTQGNACMGRGDSGGSWITSAGQAQGVMSGG
NVQSNGNNCGIPASQRSSLFERLQPILSQYGLSLVTG
>1194 bp
ATGTACGTATCGAACCACCGTTCGCGCCGCGTCGCGCGCGTGTCCGTTTCCTGCCTCGTC
GCCGCGCTGGCGGCGATGTCCTGCGGCGCTGCGCTGGCGGCCGATCAGGTCGATCCTCAG
CTGAAATTCGCCATGCAGCGCGATCTGGGCATCTTCCCGACCCAGCTGCCGCAGTACCTG
CAGACCGAAAAACTCGCCCGCACCCAGGCCGCGGCGATCGAGCGCGAGTTCGGTGCCCAG
TTCGCCGGCAGCTGGATCGAGCGCAACGAAGACGGCAGCTTCAAGCTCGTCGCCGCGACC
TCGGGCGCGCGCAAGTCGAGCACGCTGGGCGGGGTGGAAGTGCGCAACGTGCGCTACAGC
CTCAAGCAGCTGCAGTCGGCGATGGAGCAGCTCGACGCCGGCGCCAACGCGCGGGTGAAG
GGCGTCAGCAAGCCGCTCGACGGCGTGCAGAGCTGGTACGTGGATCCGCGCAGCAACGCG
GTGGTGGTCAAAGTCGACGACGGCGCGACGGAAGCCGGCGTCGACTTCGTCGCCCTCAGC
GGCGCCGACAGCGCGCAGGTGCGGATCGAAAGCTCGCCGGGCAAGCTGCAGACCACGGCC
AACATCGTCGGCGGCATCGAGTACTCGATCAACAACGCCTCGCTGTGCTCGGTCGGCTTC
TCGGTCACCCGCGGCGCGACCAAGGGCTTCGTCACCGCCGGCCACTGCGGCACGGTGAAT
GCGACCGCGCGCATCGGCGGCGCGGTGGTCGGCACCTTCGCCGCGCGCGTGTTCCCCGGC
AACGACCGCGCCTGGGTCAGCCTGACCAGCGCGCAGACCCTGCTGCCGCGCGTGGCCAAC
GGCAGCAGCTTCGTCACCGTGCGCGGCAGCACCGAGGCCGCGGTCGGCGCGGCGGTGTGC
CGCTCGGGCCGCACCACCGGTTACCAGTGCGGCACCATCACCGCCAAGAACGTCACCGCC
AACTACGCCGAAGGTGCGGTGCGCGGCCTGACCCAGGGCAACGCCTGTATGGGCCGCGGC
GATTCGGGCGGTTCGTGGATCACCAGCGCCGGCCAGGCGCAGGGCGTGATGTCGGGCGGC
AACGTGCAGTCCAACGGCAACAACTGCGGCATCCCGGCCTCGCAGCGCAGCAGCCTGTTC
GAGCGTCTGCAGCCGATCCTGAGCCAGTACGGCCTGAGCCTGGTCACCGGCTGA
PF00089
Trypsin
PF02983
Pro_Al_protease
component
extracellular region
function
peptidase activity
function
endopeptidase activity
function
serine-type endopeptidase activity
function
catalytic activity
function
serine-type peptidase activity
function
hydrolase activity
process
protein metabolism
process
cellular protein metabolism
process
proteolysis
process
physiological process
process
metabolism
process
macromolecule metabolism
"
|
| 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