Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB03428"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"SU9516"
|
| rdf:type | |
| drugbank:description |
"
experimental
This compound belongs to the indolines. These are compounds containing an indole moiety, which consists of pyrrolidine ring fused to benzene to form 2,3-dihydroindole.
Indolines
Organic Compounds
Heterocyclic Compounds
Indoles and Derivatives
Indolines
Anisoles
Alkyl Aryl Ethers
Imidazoles
Secondary Carboxylic Acid Amides
Polyamines
Carboxylic Acids
phenol ether
anisole
alkyl aryl ether
benzene
imidazole
azole
secondary carboxylic acid amide
carboxamide group
polyamine
carboxylic acid
carboxylic acid derivative
ether
organonitrogen compound
logP
1.64
ALOGPS
logS
-2.9
ALOGPS
Water Solubility
3.23e-01 g/l
ALOGPS
logP
0.91
ChemAxon
IUPAC Name
(3Z)-3-(1H-imidazol-5-ylmethylidene)-5-methoxy-2,3-dihydro-1H-indol-2-one
ChemAxon
Traditional IUPAC Name
(3Z)-3-(3H-imidazol-4-ylmethylidene)-5-methoxy-1H-indol-2-one
ChemAxon
Molecular Weight
241.2453
ChemAxon
Monoisotopic Weight
241.085126611
ChemAxon
SMILES
COC1=CC=C2NC(=O)\C(=C/C3=CN=CN3)C2=C1
ChemAxon
Molecular Formula
C13H11N3O2
ChemAxon
InChI
InChI=1S/C13H11N3O2/c1-18-9-2-3-12-10(5-9)11(13(17)16-12)4-8-6-14-7-15-8/h2-7H,1H3,(H,14,15)(H,16,17)/b11-4-
ChemAxon
InChIKey
InChIKey=QNUKRWAIZMBVCU-WCIBSUBMSA-N
ChemAxon
Polar Surface Area (PSA)
67.01
ChemAxon
Refractivity
69.03
ChemAxon
Polarizability
24.93
ChemAxon
Rotatable Bond Count
2
ChemAxon
H Bond Acceptor Count
3
ChemAxon
H Bond Donor Count
2
ChemAxon
pKa (strongest acidic)
11.59
ChemAxon
pKa (strongest basic)
6.64
ChemAxon
Physiological Charge
0
ChemAxon
Number of Rings
3
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
Ghose Filter
true
ChemAxon
PubChem Compound
5289419
PubChem Substance
46509014
ChemSpider
4451397
BindingDB
7238
PDB
SU9
BE0000890
Cyclin-dependent kinase 5
Human
inhibitor
# Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5. "Pubmed":http://www.ncbi.nlm.nih.gov/pubmed/11752352
unknown
Cyclin-dependent kinase 5
Involved in protein kinase activity
Probably involved in the control of the cell cycle. Interacts with d1 and d3-type G1 cyclins. Can phosphorylate histone H1, tau, MAP2 and NF-H and NF-M. Also interacts with p35 which activates the kinase
CDK5
7q36
Cytoplasm. Cell projection; lamellipodium (By similarity). Cell projection; growth cone (By similari
None
7.75
33305.0
Human
HUGO Gene Nomenclature Committee (HGNC)
HGNC:1774
GenAtlas
CDK5
GeneCards
CDK5
GenBank Gene Database
X66364
GenBank Protein Database
36621
UniProtKB
Q00535
UniProt Accession
CDK5_HUMAN
EC 2.7.11.22
Serine/threonine-protein kinase PSSALRE
Tau protein kinase II catalytic subunit
TPKII catalytic subunit
>Cell division protein kinase 5
MQKYEKLEKIGEGTYGTVFKAKNRETHEIVALKRVRLDDDDEGVPSSALREICLLKELKH
KNIVRLHDVLHSDKKLTLVFEFCDQDLKKYFDSCNGDLDPEIVKSFLFQLLKGLGFCHSR
NVLHRDLKPQNLLINRNGELKLADFGLARAFGIPVRCYSAEVVTLWYRPPDVLFGAKLYS
TSIDMWSAGCIFAELANAGRPLFPGNDVDDQLKRIFRLLGTPTEEQWPSMTKLPDYKPYP
MYPATTSLVNVVPKLNATGRDLLQNLLKCNPVQRISAEEALQHPYFSDFCPP
>879 bp
ATGCAGAAATACGAGAAACTGGAAAAGATTGGGGAAGGCACCTACGGAACTGTGTTCAAG
GCCAAAAACCGGGAGACTCATGAGATCGTGGCTCTGAAACGGGTGAGGCTGGATGACGAT
GATGAGGGTGTGCCGAGTTCCGCCCTCCGGGAGATCTGCCTACTCAAGGAGCTGAAGCAC
AAGAACATCGTCAGGCTTCATGACGTCCTGCACAGCGACAAGAAGCTGACTTTGGTTTTT
GAATTCTGTGACCAGGACCTGAAGAAGTATTTTGACAGTTGCAATGGTGACCTCGATCCT
GAGATTGTAAAGTCATTCCTCTTCCAGCTACTAAAAGGGCTGGGATTCTGTCATAGCCGC
AATGTGCTACACAGGGACCTGAAGCCCCAGAACCTGCTAATAAACAGGAATGGGGAGCTG
AAATTGGCTGATTTTGGCCTGGCTCGAGCCTTTGGGATTCCCGTCCGCTGTTACTCAGCT
GAGGTGGTCACACTGTGGTACCGCCCACCGGATGTCCTCTTTGGGGCCAAGCTGTACTCC
ACGTCCATCGACATGTGGTCAGCCGGCTGCATCTTTGCAGAGCTGGCCAATGCTGGGCGG
CCTCTTTTTCCCGGCAATGATGTCGATGACCAGTTGAAGAGGATCTTCCGACTGCTGGGG
ACGCCCACCGAGGAGCAGTGGCCCTCTATGACCAAGCTGCCAGACTATAAGCCCTATCCG
ATGTACCCGGCCACAACATCCCTGGTGAACGTCGTGCCCAAACTCAATGCCACAGGGAGG
GATCTGCTGCAGAACCTTCTGAAGTGTAACCCTGTCCAGCGTATCTCAGCAGAAGAGGCC
CTGCAGCACCCCTACTTCTCCGACTTCTGTCCGCCCTAG
PF00069
Pkinase
function
ATP binding
function
catalytic activity
function
transferase activity, transferring phosphorus-containing groups
function
kinase activity
function
protein kinase activity
function
protein serine/threonine kinase activity
function
nucleotide binding
function
purine nucleotide binding
function
adenyl nucleotide binding
function
binding
function
transferase activity
process
metabolism
process
macromolecule metabolism
process
biopolymer metabolism
process
protein amino acid phosphorylation
process
biopolymer modification
process
protein modification
process
physiological process
BE0001082
Cyclin-dependent kinase 1
Human
binder
# Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5. "Pubmed":http://www.ncbi.nlm.nih.gov/pubmed/11752352
unknown
Cyclin-dependent kinase 1
Involved in protein kinase activity
Plays a key role in the control of the eukaryotic cell cycle. It is required in higher cells for entry into S-phase and mitosis. p34 is a component of the kinase complex that phosphorylates the repetitive C-terminus of RNA polymerase II
CDK1
10q21.1
Nucleus
None
8.75
34096.0
Human
HUGO Gene Nomenclature Committee (HGNC)
HGNC:1722
GenAtlas
CDC2
GeneCards
CDC2
GenBank Gene Database
X05360
GenBank Protein Database
29839
UniProtKB
P06493
UniProt Accession
CDK1_HUMAN
CDK1
Cyclin-dependent kinase 1
EC 2.7.11.22
EC 2.7.11.23
p34 protein kinase
>Cell division control protein 2 homolog
MEDYTKIEKIGEGTYGVVYKGRHKTTGQVVAMKKIRLESEEEGVPSTAIREISLLKELRH
PNIVSLQDVLMQDSRLYLIFEFLSMDLKKYLDSIPPGQYMDSSLVKSYLYQILQGIVFCH
SRRVLHRDLKPQNLLIDDKGTIKLADFGLARAFGIPIRVYTHEVVTLWYRSPEVLLGSAR
YSTPVDIWSIGTIFAELATKKPLFHGDSEIDQLFRIFRALGTPNNEVWPEVESLQDYKNT
FPKWKPGSLASHVKNLDENGLDLLSKMLIYDPAKRISGKMALNHPYFNDLDNQIKKM
>894 bp
ATGGAAGATTATACCAAAATAGAGAAAATTGGAGAAGGTACCTATGGAGTTGTGTATAAG
GGTAGACACAAAACTACAGGTCAAGTGGTAGCCATGAAAAAAATCAGACTAGAAAGTGAA
GAGGAAGGGGTTCCTAGTACTGCAATTCGGGAAATTTCTCTATTAAAGGAACTTCGTCAT
CCAAATATAGTCAGTCTTCAGGATGTGCTTATGCAGGATTCCAGGTTATATCTCATCTTT
GAGTTTCTTTCCATGGATCTGAAGAAATACTTGGATTCTATCCCTCCTGGTCAGTACATG
GATTCTTCACTTGTTAAGAGTTATTTATACCAAATCCTACAGGGGATTGTGTTTTGTCAC
TCTAGAAGAGTTCTTCACAGAGACTTAAAACCTCAAAATCTCTTGATTGATGACAAAGGA
ACAATTAAACTGGCTGATTTTGGCCTTGCCAGAGCTTTTGGAATACCTATCAGAGTATAT
ACACATGAGGTAGTAACACTCTGGTACAGATCTCCAGAAGTATTGCTGGGGTCAGCTCGT
TACTCAACTCCAGTTGACATTTGGAGTATAGGCACCATATTTGCTGAACTAGCAACTAAG
AAACCACTTTTCCATGGGGATTCAGAAATTGATCAACTCTTCAGGATTTTCAGAGCTTTG
GGCACTCCCAATAATGAAGTGTGGCCAGAAGTGGAATCTTTACAGGACTATAAGAATACA
TTTCCCAAATGGAAACCAGGAAGCCTAGCATCCCATGTCAAAAACTTGGATGAAAATGGC
TTGGATTTGCTCTCGAAAATGTTAATCTATGATCCAGCCAAACGAATTTCTGGCAAAATG
GCACTGAATCATCCATATTTTAATGATTTGGACAATCAGATTAAGAAGATGTAG
PF00069
Pkinase
function
protein serine/threonine kinase activity
function
nucleotide binding
function
purine nucleotide binding
function
adenyl nucleotide binding
function
binding
function
transferase activity
function
ATP binding
function
catalytic activity
function
transferase activity, transferring phosphorus-containing groups
function
kinase activity
function
protein kinase activity
process
biopolymer metabolism
process
protein amino acid phosphorylation
process
biopolymer modification
process
protein modification
process
physiological process
process
metabolism
process
macromolecule metabolism
BE0001072
Cyclin-dependent kinase 2
Human
inhibitor
# 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
# 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
# Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5. "Pubmed":http://www.ncbi.nlm.nih.gov/pubmed/11752352
unknown
Cyclin-dependent kinase 2
Involved in protein kinase activity
ATP + a protein = ADP + a phosphoprotein
CDK2deltaT
None
9.76
30061.0
Human
HUGO Gene Nomenclature Committee (HGNC)
HGNC:1771
GenAtlas
CDK2deltaT
GeneCards
CDK2deltaT
GenBank Gene Database
AB012305
GenBank Protein Database
3551191
UniProtKB
P24941
UniProt Accession
CDK2_HUMAN
EC 2.7.11.22
p33 protein kinase
>Cell division protein kinase 2
MENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIRLDTETEGVPSTAIREISLLKELNH
PNIVKLLDVIHTENKLYLVFEFLHQDLKKFMDASALTGIPLPLIKSYLFQLLQGLAFCHS
HRVLHRDLKPQNLLINTEGAIKLADFGLARAFGVPVRTYTHEVVTLWYRAPEILLGCKYY
STAVDIWSLGCIFAEMVTRRALFPGDSEIDQLFRIFRTLGTPDEVVWPGVTSMPDYKPSF
PKWARQDFSKVVPPLDEDGRSLLSQMLHYDPNKRISAKAALAHPFFQDVTKPVPHLRL
>897 bp
ATGGAGAACTTCCAAAAGGTGGAAAAGATCGGAGAGGGCACGTACGGAGTTGTGTACAAA
GCCAGAAACAAGTTGACGGGAGAGGTGGTGGCGCTTAAGAAAATCCGCCTGGACACTGAG
ACTGAGGGTGTGCCCAGTACTGCCATCCGAGAGATCTCTCTGCTTAAGGAGCTTAACCAT
CCTAATATTGTCAAGCTGCTGGATGTCATTCACACAGAAAATAAACTCTACCTGGTTTTT
GAATTTCTGCACCAAGATCTCAAGAAATTCATGGATGCCTCTGCTCTCACTGGCATTCCT
CTTCCCCTCATCAAGAGCTATCTGTTCCAGCTGCTCCAGGGCCTAGCTTTCTGCCATTCT
CATCGGGTCCTCCACCGAGACCTTAAACCTCAGAATCTGCTTATTAACACAGAGGGGGCC
ATCAAGCTAGCAGACTTTGGACTAGCCAGAGCTTTTGGAGTCCCTGTTCGTACTTACACC
CATGAGGTGGTGACCCTGTGGTACCGAGCTCCTGAAATCCTCCTGGGCTCGAAATATTAT
TCCACAGCTGTGGACATCTGGAGCCTGGGCTGCATCTTTGCTGAGATGGTGACTCGCCGG
GCCCTGTTCCCTGGAGATTCTGAGATTGACCAGCTCTTCCGGATCTTTCGGACTCTGGGG
ACCCCAGATGAGGTGGTGTGGCCAGGAGTTACTTCTATGCCTGATTACAAGCCAAGTTTC
CCCAAGTGGGCCCGGCAAGATTTTAGTAAAGTTGTACCTCCCCTGGATGAAGATGGACGG
AGCTTGTTATCGCAAATGCTGCACTACGACCCTAACAAGCGGATTTCGGCCAAGGCAGCC
CTGGCTCACCCTTTCTTCCAGGATGTGACCAAGCCAGTACCCCATCTTCGACTCTGA
PF00069
Pkinase
function
catalytic activity
function
transferase activity, transferring phosphorus-containing groups
function
kinase activity
function
protein kinase activity
function
protein serine/threonine kinase activity
function
nucleotide binding
function
purine nucleotide binding
function
adenyl nucleotide binding
function
binding
function
transferase activity
function
ATP binding
process
metabolism
process
macromolecule metabolism
process
biopolymer metabolism
process
protein amino acid phosphorylation
process
biopolymer modification
process
protein modification
process
physiological process
"
|
| 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