Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB03502"
| Predicate | Value (sorted: none) |
|---|---|
| drugbank:description |
"
experimental
This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
Alpha Amino Acids and Derivatives
Organic Compounds
Organic Acids and Derivatives
Carboxylic Acids and Derivatives
Amino Acids, Peptides, and Analogues
Amino Fatty Acids
Polyamines
Thioethers
Carboxylic Acids
Enolates
Monoalkylamines
Aldehydes
Alcohols and Polyols
carboxylic acid
polyamine
enolate
thioether
primary amine
amine
primary aliphatic amine
alcohol
organonitrogen compound
aldehyde
logP
-3.2
ALOGPS
logS
-1.2
ALOGPS
Water Solubility
1.45e+01 g/l
ALOGPS
logP
-4.3
ChemAxon
IUPAC Name
(2R,4R)-2-amino-4-{[(2S)-2-amino-3-oxopropyl]sulfanyl}-4-hydroxybutanoic acid
ChemAxon
Traditional IUPAC Name
(2R,4R)-2-amino-4-{[(2S)-2-amino-3-oxopropyl]sulfanyl}-4-hydroxybutanoic acid
ChemAxon
Molecular Weight
222.262
ChemAxon
Monoisotopic Weight
222.067427636
ChemAxon
SMILES
N[C@H](CS[C@@H](O)C[C@@H](N)C(O)=O)C=O
ChemAxon
Molecular Formula
C7H14N2O4S
ChemAxon
InChI
InChI=1S/C7H14N2O4S/c8-4(2-10)3-14-6(11)1-5(9)7(12)13/h2,4-6,11H,1,3,8-9H2,(H,12,13)/t4-,5+,6+/m0/s1
ChemAxon
InChIKey
InChIKey=VEZJWQNXDLWTMV-KVQBGUIXSA-N
ChemAxon
Polar Surface Area (PSA)
126.64
ChemAxon
Refractivity
51.45
ChemAxon
Polarizability
21.6
ChemAxon
Rotatable Bond Count
7
ChemAxon
H Bond Acceptor Count
6
ChemAxon
H Bond Donor Count
4
ChemAxon
pKa (strongest acidic)
2.06
ChemAxon
pKa (strongest basic)
8.94
ChemAxon
Physiological Charge
1
ChemAxon
Number of Rings
0
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
PubChem Compound
46936700
PubChem Substance
46505542
PDB
HTI
BE0001681
Aspartate-semialdehyde dehydrogenase
Haemophilus influenzae (strain ATCC 51907 / DSM 11121 / KW20 / Rd)
# 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
Aspartate-semialdehyde dehydrogenase
Amino acid transport and metabolism
L-aspartate 4-semialdehyde + phosphate + NADP(+) = L-4-aspartyl phosphate + NADPH
asd
None
5.33
40539.0
Haemophilus influenzae (strain ATCC 51907 / DSM 11121 / KW20 / Rd)
GenBank Gene Database
L42023
GenBank Protein Database
1573644
UniProtKB
P44801
UniProt Accession
DHAS_HAEIN
ASA dehydrogenase
ASADH
EC 1.2.1.11
>Aspartate-semialdehyde dehydrogenase
MKNVGFIGWRGMVGSVLMDRMSQENDFENLNPVFFTTSQAGQKAPVFGGKDAGDLKSAFD
IEELKKLDIIVTCQGGDYTNEVYPKLKATGWDGYWVDAASALRMKDDAIIVLDPVNQHVI
SEGLKKGIKTFVGGNCTVSLMLMAIGGLFEKDLVEWISVATYQAASGAGAKNMRELLSQM
GLLEQAVSSELKDPASSILDIERKVTAKMRADNFPTDNFGAALGGSLIPWIDKLLPETGQ
TKEEWKGYAETNKILGLSDNPIPVDGLCVRIGALRCHSQAFTIKLKKDLPLEEIEQIIAS
HNEWVKVIPNDKEITLRELTPAKVTGTLSVPVGRLRKLAMGPEYLAAFTVGDQLLWGAAE
PVRRILKQLVA
>1116 bp
TTATGCCACTAATTGTTTTAAAATACGGCGAACTGGCTCTGCCGCACCCCATAATAATTG
GTCGCCCACGGTAAAAGCTGCCAAATATTCAGGCCCCATAGCCAATTTACGTAAACGCCC
CACTGGCACGCTTAATGTACCTGTTACTTTCGCTGGCGTTAATTCACGCAATGTGATTTC
TTTGTCGTTTGGAATCACTTTTACCCATTCATTATGTGATGCAATAATTTGTTCGATTTC
TTCTAATGGTAAGTCTTTTTTCAGTTTGATGGTAAACGCTTGGCTATGGCAACGTAATGC
ACCGATACGCACACATAAACCATCAACAGGAATTGGATTGTCGCTTAAACCTAAAATTTT
ATTGGTTTCTGCATAACCTTTCCATTCTTCTTTAGTTTGCCCTGTTTCAGGAAGAAGTTT
GTCAATCCAAGGGATTAAGCTACCACCTAATGCCGCGCCAAAGTTATCCGTTGGGAAATT
ATCAGCACGCATTTTTGCAGTCACTTTACGTTCAATATCTAAAATAGATGAAGCAGGGTC
TTTTAATTCACTCGAAACTGCTTGTTCTAATAAACCCATTTGTGAAAGTAATTCACGCAT
ATTTTTTGCGCCAGCACCTGAAGCCGCTTGATAAGTTGCCACAGAAATCCATTCCACCAA
ATCTTTTTCAAATAGACCGCCGATAGCCATTAACATTAAGCTTACGGTACAGTTACCGCC
CACGAAAGTTTTAATGCCTTTTTTCAAACCTTCAGAAATCACGTGTTGGTTTACTGGATC
AAGCACGATAATTGCATCATCTTTCATACGCAACGCAGAAGCGGCATCAACCCAATAACC
ATCCCAACCTGTTGCTTTTAATTTTGGATAGACTTCATTGGTGTAATCGCCACCTTGGCA
AGTCACGATAATGTCTAATTTTTTAAGTTCTTCAATATCGAATGCACTTTTCAGGTCGCC
TGCATCCTTGCCACCAAAAACAGGTGCTTTTTGACCTGCTTGTGAAGTTGTAAAAAATAC
GGGATTAAGATTTTCAAAATCATTTTCCTGCGACATACGATCCATTAATACGGAACCCAC
CATTCCGCGCCAGCCGATAAAGCCTACATTTTTCAT
PF01118
Semialdhyde_dh
PF02774
Semialdhyde_dhC
component
cell
component
intracellular
component
cytoplasm
function
oxidoreductase activity, acting on the aldehyde or oxo group of donors
function
oxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor
function
oxidoreductase activity
function
cofactor binding
function
protein dimerization activity
function
coenzyme binding
function
NADP binding
function
binding
function
protein binding
function
catalytic activity
function
aspartate-semialdehyde dehydrogenase activity
function
NAD binding
process
amino acid metabolism
process
amino acid and derivative metabolism
process
aspartate family amino acid metabolism
process
amino acid biosynthesis
process
lysine metabolism
process
lysine biosynthesis
process
physiological process
process
lysine biosynthesis via diaminopimelate
process
metabolism
process
cellular metabolism
"
|
| rdfs:label |
"(4s)-4-{[(2s)-2-Amino-3-Oxopropyl]Sulfanyl}-L-Homoserinate"
|
| owl:sameAs | |
| 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