Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB08691"

Predicate	Value (sorted: default)
rdfs:label	"ethyl 3-[(E)-2-amino-1-cyanoethenyl]-6,7-dichloro-1-methyl-1H-indole-2-carboxylate"
rdf:type	drugbank:drugs
drugbank:description	" experimental This compound belongs to the indolecarboxylic acids and derivatives. These are compounds containing a carboxylic acid group (or a derivative thereof) linked to an indole. Indolecarboxylic Acids and Derivatives Organic Compounds Heterocyclic Compounds Indoles and Derivatives Indolecarboxylic Acids and Derivatives Alpha Amino Acids and Derivatives Indoles Pyrrole Carboxylic Acids and Derivatives Chlorobenzenes N-methylpyrroles Aryl Chlorides Carboxylic Acid Esters Enamines Dialkyl Ethers Enolates Nitriles Polyamines Organochlorides alpha-amino acid or derivative indole pyrrole-2-carboxylic acid or derivative chlorobenzene n-methylpyrrole benzene substituted pyrrole n-substituted pyrrole aryl halide aryl chloride pyrrole carboxylic acid ester enolate nitrile carbonitrile ether enamine dialkyl ether polyamine carboxylic acid derivative organonitrogen compound organochloride amine organohalogen logP 3.53 ALOGPS logS -4 ALOGPS Water Solubility 3.59e-02 g/l ALOGPS logP 3.01 ChemAxon IUPAC Name ethyl 3-[(1E)-2-amino-1-cyanoeth-1-en-1-yl]-6,7-dichloro-1-methyl-1H-indole-2-carboxylate ChemAxon Traditional IUPAC Name ethyl 3-[(1E)-2-amino-1-cyanoeth-1-en-1-yl]-6,7-dichloro-1-methylindole-2-carboxylate ChemAxon Molecular Weight 338.189 ChemAxon Monoisotopic Weight 337.038482089 ChemAxon SMILES CCOC(=O)C1=C(\C(=C/N)C#N)C2=C(N1C)C(Cl)=C(Cl)C=C2 ChemAxon Molecular Formula C15H13Cl2N3O2 ChemAxon InChI InChI=1S/C15H13Cl2N3O2/c1-3-22-15(21)14-11(8(6-18)7-19)9-4-5-10(16)12(17)13(9)20(14)2/h4-6H,3,18H2,1-2H3/b8-6- ChemAxon InChIKey InChIKey=CXJCGSPAPOTTSF-VURMDHGXSA-N ChemAxon Polar Surface Area (PSA) 81.04 ChemAxon Refractivity 86.6 ChemAxon Polarizability 32.76 ChemAxon Rotatable Bond Count 4 ChemAxon H Bond Acceptor Count 3 ChemAxon H Bond Donor Count 1 ChemAxon pKa (strongest basic) 2.04 ChemAxon Physiological Charge 0 ChemAxon Number of Rings 2 ChemAxon Bioavailability 1 ChemAxon Rule of Five true ChemAxon Ghose Filter true ChemAxon ChemSpider 22378449 PDB V25 BE0001824 Dual specificity protein kinase CLK1 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 Dual specificity protein kinase CLK1 Involved in protein kinase activity Phosphorylates serine- and arginine-rich (SR) proteins of the spliceosomal complex may be a constituent of a network of regulatory mechanisms that enable SR proteins to control RNA splicing. Phosphorylates serines, threonines and tyrosines CLK1 2q33 Nucleus None 9.02 57206.0 Human HUGO Gene Nomenclature Committee (HGNC) HGNC:2068 GenAtlas CLK1 GeneCards CLK1 GenBank Gene Database L29219 GenBank Protein Database 632964 UniProtKB P49759 UniProt Accession CLK1_HUMAN CDC-like kinase 1 EC 2.7.12.1 >Dual specificity protein kinase CLK1 MRHSKRTYCPDWDDKDWDYGKWRSSSSHKRRKRSHSSAQENKRCKYNHSKMCDSHYLESR SINEKDYHSRRYIDEYRNDYTQGCEPGHRQRDHESRYQNHSSKSSGRSGRSSYKSKHRIH HSTSHRRSHGKSHRRKRTRSVEDDEEGHLICQSGDVLSARYEIVDTLGEGAFGKVVECID HKAGGRHVAVKIVKNVDRYCEAARSEIQVLEHLNTTDPNSTFRCVQMLEWFEHHGHICIV FELLGLSTYDFIKENGFLPFRLDHIRKMAYQICKSVNFLHSNKLTHTDLKPENILFVQSD YTEAYNPKIKRDERTLINPDIKVVDFGSATYDDEHHSTLVSTRHYRAPEVILALGWSQPC DVWSIGCILIEYYLGFTVFPTHDSKEHLAMMERILGPLPKHMIQKTRKRKYFHHDRLDWD EHSSAGRYVSRACKPLKEFMLSQDVEHERLFDLIQKMLEYDPAKRITLREALKHPFFDLL KKSI >1455 bp ATGAGACACTCAAAGAGAACTTACTGTCCTGATTGGGATGACAAGGATTGGGATTATGGA AAATGGAGGAGCAGCAGCAGTCATAAAAGAAGGAAGAGATCACATAGCAGTGCCCAGGAG AACAAGCGCTGCAAATACAATCACTCTAAAATGTGTGATAGCCATTATTTGGAAAGCAGG TCTATAAATGAGAAAGATTATCATAGTCGACGCTACATTGATGAGTACAGAAATGACTAC ACTCAAGGATGTGAACCTGGACATCGCCAAAGAGACCATGAAAGCCGGTATCAGAACCAT AGTAGCAAGTCTTCTGGTAGAAGTGGAAGAAGTAGTTATAAAAGCAAACACAGGATTCAC CACAGTACTTCACATCGTCGTTCACATGGGAAGAGTCACCGAAGGAAAAGAACCAGGAGT GTAGAGGATGATGAGGAGGGTCACCTGATCTGTCAGAGTGGAGACGTACTAAGTGCAAGA TATGAAATTGTTGATACTTTAGGTGAAGGAGCTTTTGGAAAAGTTGTGGAGTGCATCGAT CATAAAGCGGGAGGTAGACATGTAGCAGTAAAAATAGTTAAAAATGTGGATAGATACTGT GAAGCTGCTCGCTCAGAAATACAAGTTCTGGAACATCTGAATACAACAGACCCCAACAGT ACTTTCCGCTGTGTCCAGATGTTGGAATGGTTTGAGCATCATGGTCACATTTGCATTGTT TTTGAACTATTGGGACTTAGTACTTACGACTTCATTAAAGAAAATGGTTTTCTACCATTT CGACTGGATCATATCAGAAAGATGGCATATCAGATATGCAAGTCTGTGAATTTTTTGCAC AGTAATAAGTTGACTCACACAGACTTAAAGCCTGAAAACATCTTATTTGTGCAGTCTGAC TACACAGAGGCGTATAATCCCAAAATAAAACGTGATGAACGCACCTTAATAAATCCAGAT ATTAAAGTTGTAGACTTTGGTAGTGCAACATATGATGACGAACATCACAGTACATTGGTA TCTACAAGACATTATAGAGCACCTGAAGTTATTTTAGCCCTAGGGTGGTCCCAACCATGT GATGTCTGGAGCATAGGATGCATTCTTATTGAATACTATCTTGGGTTTACCGTATTTCCA ACACACGATAGTAAGGAGCATTTAGCAATGATGGAAAGGATTCTTGGACCTCTACCAAAA CATATGATACAGAAAACCAGGAAACGTAAATATTTTCACCACGATCGATTAGACTGGGAT GAACACAGTTCTGCCGGCAGATATGTTTCAAGAGCCTGTAAACCTCTGAAGGAATTTATG CTTTCTCAAGATGTTGAACATGAGCGTCTCTTTGACCTCATTCAGAAAATGTTGGAGTAT GATCCAGCCAAAAGAATTACTCTCAGAGAAGCCTTAAAGCATCCTTTCTTTGACCTTCTG AAGAAAAGTATATAG PF00069 Pkinase 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 function protein serine/threonine kinase activity function nucleotide binding function purine nucleotide binding function adenyl nucleotide binding process physiological process process metabolism process macromolecule metabolism process biopolymer metabolism process protein amino acid phosphorylation process biopolymer modification process protein modification BE0004043 Dual specificity protein kinase CLK3 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 Dual specificity protein kinase CLK3 Involved in ATP binding Phosphorylates serine- and arginine-rich (SR) proteins of the spliceosomal complex. May be a constituent of a network of regulatory mechanisms that enable SR proteins to control RNA splicing. Phosphorylates serines, threonines and tyrosines CLK3 15q24 Nucleus. Cytoplasm (By similarity). Cytoplasmic vesicle, secretory vesicle, acrosome (By similarity) None 10.37 73514.4 Human HUGO Gene Nomenclature Committee (HGNC) GNC:2071 GeneCards CLK3 GenBank Gene Database L29220 GenBank Protein Database 632970 UniProtKB P49761 UniProt Accession CLK3_HUMAN CDC-like kinase 3 >Dual specificity protein kinase CLK3 MPVLSARRRELADHAGSGRRSGPSPTARSGPHLSALRAQPARAAHLSGRGTYVRRDTAGG GPGQARPLGPPGTSLLGRGARRSGEGWCPGAFESGARAARPPSRVEPRLATAASREGAGL PRAEVAAGSGRGARSGEWGLAAAGAWETMHHCKRYRSPEPDPYLSYRWKRRRSYSREHEG RLRYPSRREPPPRRSRSRSHDRLPYQRRYRERRDSDTYRCEERSPSFGEDYYGPSRSRHR RRSRERGPYRTRKHAHHCHKRRTRSCSSASSRSQQSSKRSSRSVEDDKEGHLVCRIGDWL QERYEIVGNLGEGTFGKVVECLDHARGKSQVALKIIRNVGKYREAARLEINVLKKIKEKD KENKFLCVLMSDWFNFHGHMCIAFELLGKNTFEFLKENNFQPYPLPHVRHMAYQLCHALR FLHENQLTHTDLKPENILFVNSEFETLYNEHKSCEEKSVKNTSIRVADFGSATFDHEHHT TIVATRHYRPPEVILELGWAQPCDVWSIGCILFEYYRGFTLFQTHENREHLVMMEKILGP IPSHMIHRTRKQKYFYKGGLVWDENSSDGRYVKENCKPLKSYMLQDSLEHVQLFDLMRRM LEFDPAQRITLAEALLHPFFAGLTPEERSFHTSRNPSR >459 bp ATGCATCACTGTAAGCGATACCGCTCCCCTGAACCAGACCCGTACCTGAGCTACCGATGG AAGAGGAGGAGGTCCTACAGTCGGGAACATGAAGGGAGACTGCGATACCCGTCCCGAAGG GAGCCTCCCCCACGAAGATCTCGGTCCAGAAGCCATGACCGCCTGCCCTACCAGAGGAGG TACCGGGAGCGCCGTGACAGCGATACATACCGGTGTGAAGAGCGGAGCCCATCCTTTGGA GAGGACTACTATGGACCTTCACGTTCTCGTCATCGTCGGCGATCGCGGGAGAGGGGGCCA TACCGGACCCGCAAGCATGCCCACCACTGCCACAAACGCCGCACCAGGTCTTGTAGCAGC GCCTCCTCGATGAGATTGTGGGGAACCTGGGTGAAGGCACCTTTGGCAAGGTGGTGGAGT GCTTGGACCATGCCAGAGGGAAGTCTCAGGTTGCCCTGA 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 "

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