Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB06998"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"[(5R)-5-(2,3-dibromo-5-ethoxy-4-hydroxybenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid"
|
| rdf:type | |
| ns1: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
o-Bromophenols
m-Bromophenols
Phenol Ethers
Alkyl Aryl Ethers
Bromobenzenes
Thiazolidinethiones
Thiazolidinones
Aryl Bromides
Tertiary Carboxylic Acid Amides
Tertiary Amines
Organic Thiocarbonic Acid Derivatives
Polyols
Enols
Carboxylic Acids
Enolates
Polyamines
Organobromides
3-bromophenol
2-bromophenol
2-halophenol
3-halophenol
phenol ether
bromobenzene
phenol derivative
alkyl aryl ether
thiazolidinethione
aryl halide
benzene
thiazolidinone
aryl bromide
tertiary carboxylic acid amide
thiazolidine
tertiary amine
carboxamide group
polyol
thiocarbonic acid derivative
enolate
carboxylic acid
ether
enol
polyamine
organohalogen
organobromide
organonitrogen compound
amine
logP
4.14
ALOGPS
logS
-4.9
ALOGPS
Water Solubility
6.71e-03 g/l
ALOGPS
logP
3.97
ChemAxon
IUPAC Name
2-[(5R)-5-[(2,3-dibromo-5-ethoxy-4-hydroxyphenyl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
ChemAxon
Traditional IUPAC Name
[(5R)-5-[(2,3-dibromo-5-ethoxy-4-hydroxyphenyl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
ChemAxon
Molecular Weight
499.195
ChemAxon
Monoisotopic Weight
496.860189205
ChemAxon
SMILES
[H][C@]1(CC2=C(Br)C(Br)=C(O)C(OCC)=C2)SC(=S)N(CC(O)=O)C1=O
ChemAxon
Molecular Formula
C14H13Br2NO5S2
ChemAxon
InChI
InChI=1S/C14H13Br2NO5S2/c1-2-22-7-3-6(10(15)11(16)12(7)20)4-8-13(21)17(5-9(18)19)14(23)24-8/h3,8,20H,2,4-5H2,1H3,(H,18,19)/t8-/m1/s1
ChemAxon
InChIKey
InChIKey=ABQHPGHMYXJJIV-MRVPVSSYSA-N
ChemAxon
Polar Surface Area (PSA)
87.07
ChemAxon
Refractivity
102.06
ChemAxon
Polarizability
40.06
ChemAxon
Rotatable Bond Count
6
ChemAxon
H Bond Acceptor Count
5
ChemAxon
H Bond Donor Count
2
ChemAxon
pKa (strongest acidic)
2.3
ChemAxon
pKa (strongest basic)
-4.9
ChemAxon
Physiological Charge
-1
ChemAxon
Number of Rings
2
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
PubChem Compound
24860533
PubChem Substance
99443469
PDB
322
BE0003771
DNA polymerase III subunit beta
Escherichia coli (strain K12)
# 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
DNA polymerase III subunit beta
Replication, recombination and repair
DNA polymerase III is a complex, multichain enzyme responsible for most of the replicative synthesis in bacteria. This DNA polymerase also exhibits 3' to 5' exonuclease activity. The beta chain is required for initiation of replication once it is clamped onto DNA, it slides freely (bidirectional and ATP- independent) along duplex DNA
dnaN
Cytoplasm
None
5.05
40586.3
Escherichia coli (strain K12)
GeneCards
dnaN
GenBank Gene Database
J01602
GenBank Protein Database
145759
UniProtKB
P0A988
UniProt Accession
DPO3B_ECOLI
>DNA polymerase III subunit beta
MKFTVEREHLLKPLQQVSGPLGGRPTLPILGNLLLQVADGTLSLTGTDLEMEMVARVALV
QPHEPGATTVPARKFFDICRGLPEGAEIAVQLEGERMLVRSGRSRFSLSTLPAADFPNLD
DWQSEVEFTLPQATMKRLIEATQFSMAHQDVRYYLNGMLFETEGEELRTVATDGHRLAVC
SMPIGQSLPSHSVIVPRKGVIELMRMLDGGDNPLRVQIGSNNIRAHVGDFIFTSKLVDGR
FPDYRRVLPKNPDKHLEAGCDLLKQAFARAAILSNEKFRGVRLYVSENQLKITANNPEQE
EAEEILDVTYSGAEMEIGFNVSYVLDVLNALKCENVRMMLTDSVSSVQIEDAASQSAAYV
VMPMRL
>1404 bp
ACTTTTGTTCGAGTGGAGTCCGCCGTGTCACTTTCGCTTTGGCAGCAGTGTCTTGCCCGA
TTGCAGGATGAGTTACCAGCCACAGAATTCAGTATGTGGATACGCCCATTGCAGGCGGAA
CTGAGCGATAACACGCTGGCCCTGTACGCGCCAAACCGTTTTGTCCTCGATTGGGTACGG
GACAAGTACCTTAATAATATCAATGGACTGCTAACCAGTTTCTGCGGAGCGGATGCCCCA
CAGCTGCGTTTTGAAGTCGGCACCAAACCGGTGACGCAAACGCCACAAGCGGCAGTGACG
AGCAACGTCGCGGCCCCTGCACAGGTGGCGCAAACGCAGCCGCAACGTGCTGCGCCTTCT
ACGCGCTCAGGTTGGGATAACGTCCCGGCCCCGGCAGAACCGACCTATCGTTCTAACGTA
AACGTCAAACACACGTTTGATAACTTCGTTGAAGGTAAATCTAACCAACTGGCGCGCGCG
GCGGCTCGCCAGGTGGCGGATAACCCTGGCGGTGCCTATAACCCGTTGTTCCTTTATGGC
GGCACGGGTCTGGGTAAAACTCACCTGCTGCATGCGGTGGGTAACGGCATTATGGCGCGC
AAGCCGAATGCCAAAGTGGTTTATATGCACTCCGAGCGCTTTGTTCAGGACATGGTTAAA
GCCCTGCAAAACAACGCGATCGAAGAGTTTAAACGCTACTACCGTTCCGTAGATGCACTG
CTGATCGACGATATTCAGTTTTTTGCTAATAAAGAACGATCTCAGGAAGAGTTTTTCCAC
ACCTTCAACGCCCTGCTGGAAGGTAATCAACAGATCATTCTCACCTCGGATCGCTATCCG
AAAGAGATCAACGGCGTTGAGGATCGTTTGAAATCCCGCTTCGGTTGGGGACTGACTGTG
GCGATCGAACCGCCAGAGCTGGAAACCCGTGTGGCGATCCTGATGAAAAAGGCCGACGAA
AACGACATTCGTTTGCCGGGCGAAGTGGCGTTCTTTATCGCCAAGCGTCTACGATCTAAC
GTACGTGAGCTGGAAGGGGCGCTGAACCGCGTCATTGCCAATGCCAACTTTACCGGACGG
GCGATCACCATCGACTTCGTGCGTGAGGCGCTGCGCGACTTGCTGGCATTGCAGGAAAAA
CTGGTCACCATCGACAATATTCAGAAGACGGTGGCGGAGTACTACAAGATCAAAGTCGCG
GATCTCCTTTCCAAGCGTCGATCCCGCTCGGTGGCGCGTCCGCGCCAGATGGCGATGGCG
CTGGCGAAAGAGCTGACTAACCACAGTCTGCCGGAGATTGGCGATGCGTTTGGTGGCCGT
GACCACACGACGGTGCTTCATGCCTGCCGTAAGATCGAGCAGTTGCGTGAAGAGAGCCAC
GATATCAAAGAAGATTTTTCAAAT
PF00712
DNA_pol3_beta
PF02767
DNA_pol3_beta_2
PF02768
DNA_pol3_beta_3
function
catalytic activity
function
nucleotidyltransferase activity
function
DNA-directed DNA polymerase activity
function
hydrolase activity
function
nuclease activity
function
transferase activity
function
exonuclease activity
function
transferase activity, transferring phosphorus-containing groups
function
3'-5' exonuclease activity
function
nucleic acid binding
function
hydrolase activity, acting on ester bonds
function
binding
function
DNA binding
process
DNA replication
process
DNA metabolism
process
metabolism
process
cellular metabolism
process
nucleobase, nucleoside, nucleotide and nucleic acid metabolism
process
physiological process
"
|
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines/drugbank_small.nt
The resource does not appear as an object