Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB04513"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"N-(6-Aminohexyl)-5-Chloro-1-Naphthalenesulfonamide"
|
| rdf:type | |
| drugbank:description |
"
experimental
This compound belongs to the naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.
Naphthalenes
Organic Compounds
Benzenoids
Acenes and Derivatives
Naphthalenes
Benzenesulfonamides
Chlorobenzenes
Aryl Chlorides
Sulfonyls
Sulfonamides
Polyamines
Monoalkylamines
Organochlorides
chlorobenzene
aryl halide
aryl chloride
benzene
sulfonic acid derivative
sulfonyl
sulfonamide
polyamine
organochloride
amine
organohalogen
primary amine
primary aliphatic amine
organonitrogen compound
logP
2.49
ALOGPS
logS
-5.3
ALOGPS
Water Solubility
1.72e-03 g/l
ALOGPS
logP
2.45
ChemAxon
IUPAC Name
N-(6-aminohexyl)-5-chloronaphthalene-1-sulfonamide
ChemAxon
Traditional IUPAC Name
N-(6-aminohexyl)-5-chloronaphthalene-1-sulfonamide
ChemAxon
Molecular Weight
340.868
ChemAxon
Monoisotopic Weight
340.101226323
ChemAxon
SMILES
NCCCCCCNS(=O)(=O)C1=CC=CC2=C1C=CC=C2Cl
ChemAxon
Molecular Formula
C16H21ClN2O2S
ChemAxon
InChI
InChI=1S/C16H21ClN2O2S/c17-15-9-5-8-14-13(15)7-6-10-16(14)22(20,21)19-12-4-2-1-3-11-18/h5-10,19H,1-4,11-12,18H2
ChemAxon
InChIKey
InChIKey=IDEHCMNLNCJQST-UHFFFAOYSA-N
ChemAxon
Polar Surface Area (PSA)
72.19
ChemAxon
Refractivity
91.03
ChemAxon
Polarizability
36.12
ChemAxon
Rotatable Bond Count
7
ChemAxon
H Bond Acceptor Count
3
ChemAxon
H Bond Donor Count
2
ChemAxon
pKa (strongest acidic)
9.72
ChemAxon
pKa (strongest basic)
10.38
ChemAxon
Physiological Charge
1
ChemAxon
Number of Rings
2
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
Ghose Filter
true
ChemAxon
PubChem Compound
5681
PubChem Substance
46506532
ChemSpider
5479
PDB
WW7
BE0000418
Calmodulin
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
Calmodulin
Involved in calcium ion binding
Calmodulin mediates the control of a large number of enzymes and other proteins by Ca(2+). Among the enzymes to be stimulated by the calmodulin-Ca(2+) complex are a number of protein kinases and phosphatases
CALM1
14q24-q31
None
3.84
16707.0
Human
HUGO Gene Nomenclature Committee (HGNC)
HGNC:1442
GenAtlas
CALM1
GeneCards
CALM1
GenBank Gene Database
J04046
GenBank Protein Database
179888
UniProtKB
P62158
UniProt Accession
CALM_HUMAN
CaM
>Calmodulin
ADQLTEEQIAEFKEAFSLFDKDGDGTITTKELGTVMRSLGQNPTEAELQDMINEVDADGN
GTIDFPEFLTMMARKMKDTDSEEEIREAFRVFDKDGNGYISAAELRHVMTNLGEKLTDEE
VDEMIREADIDGDGQVNYEEFVQMMTAK
>450 bp
ATGGCTGACCAGCTGACTGAGGAGCAGATTGCAGAGTTCAAGGAGGCCTTCTCCCTCTTT
GACAAGGATGGAGATGGCACTATCACCACCAAGGAGTTGGGGACAGTGATGAGATCCCTG
GGACAGAACCCCACTGAAGCAGAGCTGCAGGATATGATCAATGAGGTGGATGCAGATGGG
AACGGGACCATTGACTTCCCGGAGTTCCTGACCATGATGGCCAGAAAGATGAAGGACACA
GACAGTGAGGAGGAGATCCGAGAGGCGTTCCGTGTCTTTGACAAGGATGGGAATGGCTAC
ATCAGCGCCGCAGAGCTGCGTCACGTAATGACGAACCTGGGGGAGAAGCTGACCGATGAG
GAGGTGGATGAGATGATCAGGGAGGCTGACATCGATGGAGATGGCCAGGTCAATTATGAA
GAGTTTGTACAGATGATGACTGCAAAGTGA
PF00036
efhand
function
binding
function
ion binding
function
cation binding
function
calcium ion binding
BE0001024
Troponin C, slow skeletal and cardiac muscles
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
Troponin C, slow skeletal and cardiac muscles
Involved in calcium ion binding
Troponin is the central regulatory protein of striated muscle contraction. Tn consists of three components:Tn-I which is the inhibitor of actomyosin ATPase, Tn-T which contains the binding site for tropomyosin and Tn-C. The binding of calcium to Tn-C abolishes the inhibitory action of Tn on actin filaments
TNNC1
3p21.3-p14.3
None
3.78
18403.0
Human
HUGO Gene Nomenclature Committee (HGNC)
HGNC:11943
GenAtlas
TNNC1
GeneCards
TNNC1
GenBank Gene Database
X07897
GenBank Protein Database
37208
UniProtKB
P63316
UniProt Accession
TNNC1_HUMAN
TN-C
>Troponin C, slow skeletal and cardiac muscles
MDDIYKAAVEQLTEEQKNEFKAAFDIFVLGAEDGCISTKELGKVMRMLGQNPTPEELQEM
IDEVDEDGSGTVDFDEFLVMMVRCMKDDSKGKSEEELSDLFRMFDKNADGYIDLDELKIM
LQATGETITEDDIEELMKDGDKNNDGRIDYDEFLEFMKGVE
>486 bp
ATGGATGACATCTACAAGGCTGCGGTAGAGCAGCTGACAGAAGAGCAGAAAAATGAGTTC
AAGGCAGCCTTCGACATCTTCGTGCTGGGCGCTGAGGATGGCTGCATCAGCACCAAGGAG
CTGGGCAAGGTGATGAGGATGCTGGGCCAGAACCCCACCCCTGAGGAGCTGCAGGAGATG
ATCGATGAGGTGGACGAGGACGGCAGCGGCACGGTGGACTTTGATGAGTTCCTGGTCATG
ATGGTTCGGTGCATGAAGGACGACAGCAAAGGGAAATCTGAGGAGGAGCTGTCTGACCTC
TTCCGCATGTTTGACAAAAATGCTGATGGCTACATCGACCTGGATGAGCTGAAGATAATG
CTGCAGGCTACAGGCGAGACCATCACGGAGGACGACATCGAGGAGCTCATGAAGGACGGA
GACAAGAACAACGACGGCCGCATCGACTATGATGAGTTCCTGGAGTTCATGAAGGGTGTG
GAGTAG
PF00036
efhand
function
binding
function
ion binding
function
cation binding
function
calcium ion binding
BE0000656
Troponin I, cardiac muscle
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
Troponin I, cardiac muscle
Involved in actin binding
Troponin I is the inhibitory subunit of troponin, the thin filament regulatory complex which confers calcium-sensitivity to striated muscle actomyosin ATPase activity
TNNI3
19q13.4
None
10.57
23877.0
Human
HUGO Gene Nomenclature Committee (HGNC)
HGNC:11947
GenAtlas
TNNI3
GeneCards
TNNI3
GenBank Gene Database
X54163
GenBank Protein Database
37428
UniProtKB
P19429
UniProt Accession
TNNI3_HUMAN
Cardiac troponin I
>Troponin I, cardiac muscle
ADGSSDAAREPRPAPAPIRRRSSNYRAYATEPHAKKKSKISASRKLQLKTLLLQIAKQEL
EREAEERRGEKGRALSTRCQPLELAGLGFAELQDLCRQLHARVDKVDEERYDIEAKVTKN
ITEIADLTQKIFDLRGKFKRPTLRRVRISADAMMQALLGARAKESLDLRAHLKQVKKEDT
EKENREVGDWRKNIDALSGMEGRKKKFES
>633 bp
ATGGCGGATGGGAGCAGCGATGCGGCTAGGGAACCTCGCCCTGCACCAGCCCCAATCAGA
CGCCGCTCCTCCAACTACCGCGCTTATGCCACGGAGCCGCACGCCAAGAAAAAATCTAAG
ATCTCCGCCTCGAGAAAATTGCAGCTGAAGACTCTGCTGCTGCAGATTGCAAAGCAAGAG
CTGGAGCGAGAGGCGGAGGAGCGGCGCGGAGAGAAGGGGCGCGCTCTGAGCACCCGCTGC
CAGCCGCTGGAGTTGACCGGGCTGGGCTTCGCGGAGCTGCAGGACTTGTGCCGACAGCTC
CACGCCCGTGTGGACAAGGTGGATGAAGAGAGATACGACATAGAGGCAAAAGTCACCAAG
AACATCACGGAGATTGCAGATCTGACTCAGAAGATCTTTGACCTTCGAGGCAAGTTTAAG
CGGCCCACCCTGCGGAGAGTGAGGATCTCTGCAGATGCCATGATGCAGGCGCTGCTGGGG
GCCCGGGCTAAGGAGTCCCTGGACCTGCGGGCCCACCTCAAGCAGGTGAAGAAGGAGGAC
ACCGAGAAGGAAAACCGGGAGGTGGGAGACTGGCGGAAGAACATCGATGCACTGAGTGGA
ATGGAGGGCCGCAAGAAAAAGTTTGAGAGCTGA
PF00992
Troponin
"
|
| 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