Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB01731"
| Predicate | Value (sorted: none) |
|---|---|
| owl:sameAs | |
| rdfs:label |
"(S)-Wiskostatin"
|
| drugbank:description |
"
experimental
This compound belongs to the carbazoles. These are compounds containing a three ring system containing a pyrrole ring fused on either side to a benzene ring.
Carbazoles
Organic Compounds
Heterocyclic Compounds
Indoles and Derivatives
Carbazoles
Indoles
Bromobenzenes
Aryl Bromides
N-substituted Pyrroles
Tertiary Amines
Secondary Alcohols
Polyamines
Organobromides
indole
bromobenzene
aryl bromide
aryl halide
benzene
substituted pyrrole
n-substituted pyrrole
pyrrole
secondary alcohol
tertiary amine
polyamine
amine
organohalogen
organobromide
alcohol
organonitrogen compound
logP
4.17
ALOGPS
logS
-4.4
ALOGPS
Water Solubility
1.62e-02 g/l
ALOGPS
logP
4.24
ChemAxon
IUPAC Name
(2S)-1-(3,6-dibromo-9H-carbazol-9-yl)-3-(dimethylamino)propan-2-ol
ChemAxon
Traditional IUPAC Name
(S)-wiskostatin
ChemAxon
Molecular Weight
426.146
ChemAxon
Monoisotopic Weight
423.978588502
ChemAxon
SMILES
[H][C@](O)(CN(C)C)CN1C2=CC=C(Br)C=C2C2=C1C=CC(Br)=C2
ChemAxon
Molecular Formula
C17H18Br2N2O
ChemAxon
InChI
InChI=1S/C17H18Br2N2O/c1-20(2)9-13(22)10-21-16-5-3-11(18)7-14(16)15-8-12(19)4-6-17(15)21/h3-8,13,22H,9-10H2,1-2H3/t13-/m0/s1
ChemAxon
InChIKey
InChIKey=XUBJEDZHBUPBKL-ZDUSSCGKSA-N
ChemAxon
Polar Surface Area (PSA)
28.4
ChemAxon
Refractivity
97.6
ChemAxon
Polarizability
38.44
ChemAxon
Rotatable Bond Count
4
ChemAxon
H Bond Acceptor Count
2
ChemAxon
H Bond Donor Count
1
ChemAxon
pKa (strongest acidic)
14.43
ChemAxon
pKa (strongest basic)
9.09
ChemAxon
Physiological Charge
1
ChemAxon
Number of Rings
3
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
Ghose Filter
true
ChemAxon
PubChem Compound
448668
PubChem Substance
46504790
ChemSpider
395396
PDB
WSK
BE0002513
Wiskott-Aldrich syndrome protein
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
Wiskott-Aldrich syndrome protein
Involved in small GTPase regulator activity
Effector protein for Rho-type GTPases, providing a link with the Arp2/3 complex that regulates the structure and dynamics of the actin cytoskeleton. Important for efficient actin polymerization. Possible regulator of lymphocyte and platelet function
WAS
Xp11.4-p11.21
None
6.61
52913.0
Human
HUGO Gene Nomenclature Committee (HGNC)
HGNC:12731
GenAtlas
WAS
GenBank Gene Database
U12707
UniProtKB
P42768
UniProt Accession
WASP_HUMAN
WASp
>Wiskott-Aldrich syndrome protein
MSGGPMGGRPGGRGAPAVQQNIPSTLLQDHENQRLFEMLGRKCLTLATAVVQLYLALPPG
AEHWTKEHCGAVCFVKDNPQKSYFIRLYGLQAGRLLWEQELYSQLVYSTPTPFFHTFAGD
DCQAGLNFADEDEAQAFRALVQEKIQKRNQRQSGDRRQLPPPPTPANEERRGGLPPLPLH
PGGDQGGPPVGPLSLGLATVDIQNPDITSSRYRGLPAPGPSPADKKRSGKKKISKADIGA
PSGFKHVSHVGWDPQNGFDVNNLDPDLRSLFSRAGISEAQLTDAETSKLIYDFIEDQGGL
EAVRQEMRRQEPLPPPPPPSRGGNQLPRPPIVGGNKGRSGPLPPVPLGIAPPPPTPRGPP
PPGRGGPPPPPPPATGRSGPLPPPPPGAGGPPMPPPPPPPPPPPSSGNGPAPPPLPPALV
PAGGLAPGGGRGALLDQIRQGIQLNKTPGAPESSALQPPPQSSEGLVGALMHVMQKRSRA
IHSSDEGEDQAGDEDEDDEWDD
>1509 bp
ATGAGTGGGGGCCCAATGGGAGGAAGGCCCGGGGGCCGAGGAGCACCAGCGGTTCAGCAG
AACATACCCTCCACCCTCCTCCAGGACCACGAGAACCAGCGACTCTTTGAGATGCTTGGA
CGAAAATGCTTGACGCTGGCCACTGCAGTTGTTCAGCTGTACCTGGCGCTGCCCCCTGGA
GCTGAGCACTGGACCAAGGAGCATTGTGGGGCTGTGTGCTTCGTGAAGGATAACCCCCAG
AAGTCCTACTTCATCCGCCTTTACGGCCTTCAGGCTGGTCGGCTGCTCTGGGAACAGGAG
CTGTACTCACAGCTTGTCTACTCCACCCCCACCCCCTTCTTCCACACCTTCGCTGGAGAT
GACTGCCAAGCGGGGCTGAACTTTGCAGACGAGGACGAGGCCCAGGCCTTCCGGGCCCTC
GTGCAGGAGAAGATACAAAAAAGGAATCAGAGGCAAAGTGGAGACAGACGCCAGCTACCC
CCACCACCAACACCAGCCAATGAAGAGAGAAGAGGAGGGCTCCCACCCCTGCCCCTGCAT
CCAGGTGGAGACCAAGGAGGCCCTCCAGTGGGTCCGCTCTCCCTGGGGCTGGCGACAGTG
GACATCCAGAACCCTGACATCACGAGTTCACGATACCGTGGGCTCCCAGCACCTGGACCT
AGCCCAGCTGATAAGAAACGCTCAGGGAAGAAGAAGATCAGCAAAGCTGATATTGGTGCA
CCCAGTGGATTCAAGCATGTCAGCCACGTGGGGTGGGACCCCCAGAATGGATTTGACGTG
AACAACCTCGACCCAGATCTGCGGAGTCTGTTCTCCAGGGCAGGAATCAGCGAGGCCCAG
CTCACCGACGCCGAGACCTCTAAACTTATCTACGACTTCATTGAGGACCAGGGTGGGCTG
GAGGCTGTGCGGCAGGAGATGAGGCGCCAGGAGCCACTTCCGCCGCCCCCACCGCCATCT
CGAGGAGGGAACCAGCTCCCCCGGCCCCCTATTGTGGGGGGTAACAAGGGTCGTTCTGGT
CCACTGCCCCCTGTACCTTTGGGGATTGCCCCACCCCCACCAACACCCCGGGGACCCCCA
CCCCCAGGCCGAGGGGGCCCTCCACCACCACCCCCTCCAGCTACTGGACGTTCTGGACCA
CTGCCCCCTCCACCCCCTGGAGCTGGTGGGCCACCCATGCCACCACCACCGCCACCACCG
CCACCGCCGCCCAGCTCCGGGAATGGACCAGCCCCTCCCCCACTCCCTCCTGCTCTGGTG
CCTGCCGGGGGCCTGGCCCCTGGTGGGGGTCGGGGAGCGCTTTTGGATCAAATCCGGCAG
GGAATTCAGCTGAACAAGACCCCTGGGGCCCCAGAGAGCTCAGCGCTGCAGCCACCACCT
CAGAGCTCAGAGGGACTGGTGGGGGCCCTGATGCACGTGATGCAGAAGAGAAGCAGAGCC
ATCCACTCCTCCGACGAAGGGGAGGACCAGGCTGGCGATGAAGATGAAGATGATGAATGG
GATGACTGA
PF00568
WH1
PF00786
PBD
PF02205
WH2
"
|
| 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