Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB08004"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"(2S)-2-{[3-(3-aminophenyl)imidazo[1,2-b]pyridazin-6-yl]amino}-3-methylbutan-1-ol"
|
| rdf:type | |
| drugbank:description |
"
experimental
This compound belongs to the phenylimidazoles. These are polycyclic aromatic compounds containing a benzene ring linked to an imidazole ring through a CC or CN bond.
Phenylimidazoles
Organic Compounds
Heterocyclic Compounds
Azoles
Imidazoles
Anilines
Aminopyridazines
Primary Aromatic Amines
1,2-Aminoalcohols
Polyamines
Primary Alcohols
Secondary Amines
aniline
aminopyridazine
primary aromatic amine
benzene
pyridazine
1,2-aminoalcohol
polyamine
secondary amine
primary alcohol
amine
primary amine
alcohol
organonitrogen compound
logP
2.21
ALOGPS
logS
-3.5
ALOGPS
Water Solubility
8.90e-02 g/l
ALOGPS
logP
2.07
ChemAxon
IUPAC Name
(2S)-2-{[3-(3-aminophenyl)imidazo[1,2-b]pyridazin-6-yl]amino}-3-methylbutan-1-ol
ChemAxon
Traditional IUPAC Name
(2S)-2-{[3-(3-aminophenyl)imidazo[1,2-b]pyridazin-6-yl]amino}-3-methylbutan-1-ol
ChemAxon
Molecular Weight
311.3815
ChemAxon
Monoisotopic Weight
311.174610319
ChemAxon
SMILES
[H][C@](CO)(NC1=NN2C(C=C1)=NC=C2C1=CC(N)=CC=C1)C(C)C
ChemAxon
Molecular Formula
C17H21N5O
ChemAxon
InChI
InChI=1S/C17H21N5O/c1-11(2)14(10-23)20-16-6-7-17-19-9-15(22(17)21-16)12-4-3-5-13(18)8-12/h3-9,11,14,23H,10,18H2,1-2H3,(H,20,21)/t14-/m1/s1
ChemAxon
InChIKey
InChIKey=PUMVONFFLKPPIM-CQSZACIVSA-N
ChemAxon
Polar Surface Area (PSA)
88.47
ChemAxon
Refractivity
103.7
ChemAxon
Polarizability
33.53
ChemAxon
Rotatable Bond Count
5
ChemAxon
H Bond Acceptor Count
5
ChemAxon
H Bond Donor Count
3
ChemAxon
pKa (strongest acidic)
15.1
ChemAxon
pKa (strongest basic)
4.38
ChemAxon
Physiological Charge
0
ChemAxon
Number of Rings
3
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
Ghose Filter
true
ChemAxon
PubChem Compound
46937115
PubChem Substance
99444475
PDB
IZZ
BE0003794
Serine/threonine-protein kinase haspin
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
Serine/threonine-protein kinase haspin
Involved in ATP binding
Required for normal alignment of chromosomes at metaphase. Phosphorylates histone H3 'Thr-3' during mitosis
GSG2
17p13
Nucleus
None
9.37
88459.4
Human
HUGO Gene Nomenclature Committee (HGNC)
GNC:19682
GeneCards
GSG2
GenBank Gene Database
AB039834
GenBank Protein Database
118421077
UniProtKB
Q8TF76
UniProt Accession
HASP_HUMAN
Germ cell-specific gene 2 protein
H-haspin
Haploid germ cell-specific nuclear protein kinase
>Serine/threonine-protein kinase haspin
MAASLPGPGSRLFRTYGAADGRRQRRPGREAAQWFPPQDRRRFFNSSGSSDASIGDPSQS
DDPDDPDDPDFPGSPVRRRRRCPGGRVPKDRPSLTVTPKRWKLRARPSLTVTPRRLGLRA
RPPQKCSTPCGPLRLPPFPSRDSGRLSPDLSVCGQPRDGDELGISASLFSSLASPCPGSP
TPRDSVISIGTSACLVAASAVPSDLHLPEVSLDRASLPCSQEEATGGAKDTRMVHQTRAS
LRSVLFGLMNSGTPEDSEFRADGKNMRESCCKRKLVVGNGPEGPGLSSTGKRRATGQDSC
QERGLQEAVRREHQEASVPKGRIVPRGTDRLERTRSSRKSKHQEATETSLLHSHRFKKGQ
KLGKDSFPTQDLTPLQNACFWTKTRASFSFHKKKIVTDVSEVCSIYTTATSLSGSLLSEC
SNRPVMNRTSGAPSSWHSSSMYLLSPLNTLSISNKKASDAEKVYGECSQKGPVPFSHCLP
TEKLQRCEKIGEGVFGEVFQTIADHTPVAIKIIAIEGPDLVNGSHQKTFEEILPEIIISK
ELSLLSGEVCNRTEGFIGLNSVHCVQGSYPPLLLKAWDHYNSTKGSANDRPDFFKDDQLF
IVLEFEFGGIDLEQMRTKLSSLATAKSILHQLTASLAVAEASLRFEHRDLHWGNVLLKKT
SLKKLHYTLNGKSSTIPSCGLQVSIIDYTLSRLERDGIVVFCDVSMDEDLFTGDGDYQFD
IYRLMKKENNNRWGEYHPYSNVLWLHYLTDKMLKQMTFKTKCNTPAMKQIKRKIQEFHRT
MLNFSSATDLLCQHSLFK
>2397 bp
ATGGCGGCTTCGCTCCCGGGACCTGGGAGCCGGCTTTTCCGCACATATGGGGCTGCGGAC
GGCAGGAGACAGCGGCGGCCGGGCCGGGAAGCCGCGCAGTGGTTCCCGCCGCAGGACCGG
AGGCGTTTCTTCAACAGCAGCGGCAGCAGCGACGCCAGCATCGGCGACCCCTCGCAGTCC
GACGATCCTGACGATCCCGACGACCCCGACTTCCCCGGCAGCCCGGTGAGGCGGCGGCGG
AGGCGTCCCGGCGGCCGAGTGCCCAAGGACCGGCCCAGCCTGACCGTGACCCCAAAGCGC
TGGAAGCTGCGAGCTCGCCCAAGCCTAACCGTGACCCCAAGACGCCTGGGGCTGCGAGCT
CGGCCCCCGCAGAAGTGCAGCACACCCTGCGGCCCGCTCCGACTTCCGCCCTTCCCCAGC
CGCGACTCCGGCCGCCTCAGCCCGGACCTCAGCGTGTGCGGCCAGCCCAGGGACGGCGAC
GAGCTGGGCATCAGTGCCTCCCTGTTCAGCTCTCTGGCCTCGCCCTGCCCCGGGTCCCCA
ACGCCAAGGGACAGTGTCATCTCGATCGGCACCTCCGCCTGTCTGGTTGCAGCCTCAGCC
GTCCCGAGCGGCCTCCACCTCCCAGAAGTCTCCCTGGACCGAGCATCTCTCCCCTGCTCC
CAGGAGGAAGCGACAGGAGGAGCCAAGGACACCAGGATGGTCCACCAAACCCGCGCCAGC
CTCAGGTCAGTTCTCTTTGGCCTTATGAACTCAGGAACCCCTGAGGATTCTGAGTTTCGG
GCAGATGGGAAGAATATGAGAGAGTCCTGCTGTAAAAGGAAACTGGTGGTGGGAAATGGA
CCAGAGGGTCCAGGTCTGTCAAGCACAGGCAAGAGGAGGGCCACAGGCCAGGACTCTTGT
CAAGAGAGAGGGCTTCAAGAGGCCGTCCGGAGAGAGCATCAGGAGGCCAGTGTTCCCAAG
GGCCGCATTGTGCCAAGGGGAATAGACAGGCTGGAGAGAACTAGATCAAGCCGGAAGAGC
AAACATCAGGAGGCAACGGAAACCTCTCTCCTCCATTCCCACCGCTTTAAAAAGGGCCAA
AAGCTGGGAAAAGATTCGTTCCCCACCCAGGACCTGACTCCTTTACAGAATGTCTGCTTT
TGGACCAAAACCAGGGCTTCCTTCAGTTTCCACAAGAAGAAAATTGTGACTGATGTGTCA
GAGGTCTGCAGCATCTATACCACTGCCACTTCTCTCTCTGGATCCCTCCTATCAGAATGT
TCAAACCGGCCTGTCATGAACAGAACAAGTGGTGCTCCGTCCTCTTGGCACTCCTCCTCT
ATGTATTTGCTAAGCCCCTTAAACACTCTAAGTATTTCAAACAAAAAGGCATCTGATGCT
GAAAAGGTTTATGGGGAATGCAGTCAGAAGGGTCCTGTCCCCTTTAGCCATTGCCTTCCC
ACAGAAAAACTGCAACGCTGTGAGAAGATTGGGGAAGGGGTGTTTGGCGAAGTGTTTCAA
ACAATTGCTGATCACACACCCGTAGCCATAAAAATCATTGCTATTGAAGGACCAGATTTA
GTCAATGGATCCCATCAGAAAACCTTTGAGGAAATCCTGCCAGAGATCATCATCTCCAAA
GAGTTGAGCCTCTTATCCGGTGAAGTGTGCAACCGCACAGAAGGCTTTATCGGGCTGAAC
TCAGTGCACTGTGTCCAGGGATCTTACCCTCCCTTGCTCCTCAAAGCCTGGGATCACTAT
AATTCAACCAAAGGCTCTGCAAATGACCGGCCTGATTTTTTTAAAGACGACCAGCTCTTC
ATTGTGCTGGAATTTGAGTTTGGAGGGATTGACTTAGAGCAAATGCGAACCAAGTTGTCT
TCCTTGGCTACTGCAAAGAGCATTCTACACCAGCTCACAGCCTCCCTCGCAGTGGCAGAG
GCATCACTGCGCTTTGAGCACCGAGACTTACACTGGGGGAACGTGCTCTTAAAGAAAACC
AGCCTCAAAAAACTCCACTACACCCTCAATGGGAAGAGCAGCACTATCCCCAGCTGTGGG
TTGCAAGTGAGCATCATTGACTACACCCTGTCGCGCTTGGAACGGGATGGGATTGTGGTT
TTCTGTGACGTTTCCATGGATGAGGACCTGTTTACCGGTGACGGTGACTACCAGTTTGAC
ATCTACAGGCTCATGAAGAAGGAGAATAACAACCGCTGGGGTGAATATCACCCTTATAGT
AATGTGCTCTGGTTACATTACCTGACAGACAAGATGCTGAAACAAATGACCTTCAAGACT
AAATGTAACACTCCTGCCATGAAGCAAATTAAGAGAAAAATCCAGGAGTTCCACAGGACA
ATGCTGAACTTCAGCTCTGCCACTGACTTGCTCTGCCAGCACAGTCTGTTTAAGTAA
PF07714
Pkinase_Tyr
function
protein serine/threonine kinase activity
function
nucleotide binding
function
purine nucleotide binding
function
adenyl nucleotide binding
function
binding
function
transferase activity
function
protein-tyrosine kinase activity
function
catalytic activity
function
ATP binding
function
transferase activity, transferring phosphorus-containing groups
function
kinase activity
function
protein kinase activity
process
physiological process
process
metabolism
process
macromolecule metabolism
process
biopolymer metabolism
process
biopolymer modification
process
protein amino acid phosphorylation
process
protein modification
"
|
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines3/drugbank_small.nt
The resource does not appear as an object