Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB07216"

Predicate	Value (sorted: default)
rdfs:label	"(11S)-8-CHLORO-11-[1-(METHYLSULFONYL)PIPERIDIN-4-YL]-6-PIPERAZIN-1-YL-11H-BENZO[5,6]CYCLOHEPTA[1,2-B]PYRIDINE"
rdf:type	drugbank:drugs
drugbank:description	" experimental This compound belongs to the benzocycloheptapyridines. These are aromatic compounds containing a benzene ring and a pyridine ring fused to a seven membered carbocycle. Benzocycloheptapyridines Organic Compounds Heterocyclic Compounds Benzocycloheptapyridines Chlorobenzenes Diazinanes Aryl Chlorides Pyridines and Derivatives Piperidines Piperazines Sulfonamides Sulfonyls Tertiary Amines Enamines Polyamines Dialkylamines Organochlorides chlorobenzene piperazine 1,4-diazinane aryl halide piperidine pyridine benzene aryl chloride sulfonic acid derivative sulfonyl sulfonamide tertiary amine polyamine enamine secondary aliphatic amine secondary amine amine organochloride organonitrogen compound organohalogen logP 2.62 ALOGPS logS -4 ALOGPS Water Solubility 4.72e-02 g/l ALOGPS logP 1.82 ChemAxon IUPAC Name (2S)-13-chloro-2-(1-methanesulfonylpiperidin-4-yl)-10-(piperazin-1-yl)-4-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,9,12,14-heptaene ChemAxon Traditional IUPAC Name (2S)-13-chloro-2-(1-methanesulfonylpiperidin-4-yl)-10-(piperazin-1-yl)-4-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,9,12,14-heptaene ChemAxon Molecular Weight 473.031 ChemAxon Monoisotopic Weight 472.169974589 ChemAxon SMILES [H][C@]1(C2CCN(CC2)S(C)(=O)=O)C2=C(C=C(Cl)C=C2)C(=CC2=C1N=CC=C2)N1CCNCC1 ChemAxon Molecular Formula C24H29ClN4O2S ChemAxon InChI InChI=1S/C24H29ClN4O2S/c1-32(30,31)29-11-6-17(7-12-29)23-20-5-4-19(25)16-21(20)22(28-13-9-26-10-14-28)15-18-3-2-8-27-24(18)23/h2-5,8,15-17,23,26H,6-7,9-14H2,1H3/t23-/m0/s1 ChemAxon InChIKey InChIKey=ZMGCFGGMTCMSDP-QHCPKHFHSA-N ChemAxon Polar Surface Area (PSA) 65.54 ChemAxon Refractivity 129.91 ChemAxon Polarizability 50.16 ChemAxon Rotatable Bond Count 2 ChemAxon H Bond Acceptor Count 5 ChemAxon H Bond Donor Count 1 ChemAxon pKa (strongest basic) 9.23 ChemAxon Physiological Charge 1 ChemAxon Number of Rings 5 ChemAxon Bioavailability 1 ChemAxon Rule of Five true ChemAxon Ghose Filter true ChemAxon PubChem Compound 9547909 PubChem Substance 99443687 ChemSpider 7826847 PDB 736 BE0002373 Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha 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 Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha Involved in protein prenyltransferase activity Catalyzes the transfer of a farnesyl or geranyl-geranyl moiety from farnesyl or geranyl-geranyl pyrophosphate to a cysteine at the fourth position from the C-terminus of several proteins having the C-terminal sequence Cys-aliphatic-aliphatic-X. The alpha subunit is thought to participate in a stable complex with the substrate. The beta subunit binds the peptide substrate FNTA 8p11 None 4.72 44409.0 Human HUGO Gene Nomenclature Committee (HGNC) HGNC:3782 GenAtlas FNTA GeneCards FNTA GenBank Gene Database L10413 UniProtKB P49354 UniProt Accession FNTA_HUMAN CAAX farnesyltransferase alpha subunit EC 2.5.1.58 EC 2.5.1.59 FTase-alpha GGTase-I-alpha Ras proteins prenyltransferase alpha Type I protein geranyl-geranyltransferase alpha subunit >Protein farnesyltransferase/geranylgeranyltransferase type I alpha subunit MAATEGVGEAAQGGEPGQPAQPPPQPHPPPPQQQHKEEMAAEAGEAVASPMDDGFVSLDS PSYVLYRDRAEWADIDPVPQNDGPNPVVQIIYSDKFRDVYDYFRAVLQRDERSERAFKLT RDAIELNAANYTVWHFRRVLLKSLQKDLHEEMNYITAIIEEQPKNYQVWHHRRVLVEWLR DPSQELEFIADILNQDAKNYHAWQHRQWVIQEFKLWDNELQYVDQLLKEDVRNNSVWNQR YFVISNTTGYNDRAVLEREVQYTLEMIKLVPHNESAWNYLKGILQDRGLSKYPNLLNQLL DLQPSHSSPYLIAFLVDIYEDMLENQCDNKEDILNKALELCEILAKEKDTIRKEYWRYIG RSLQSKHSTENDSPTNVQQ >1140 bp ATGGCGGCCACCGAGGGGGTCGGGGAGGCTGCGCAAGGGGGCGAGCCCGGGCAGCCGGCG CAACCCCCGCCCCAGCCGCACCCACCGCCGCCCCAGCAGCAGCACAAGGAAGAGATGGCG GCCGAGGCTGGGGAAGCCGTGGCGTCCCCCATGGACGACGGGTTTGTGAGCCTGGACTCG CCCTCCTATGTCCTGTACAGGGACAGAGCAGAATGGGCTGATATAGATCCGGTGCCGCAG AATGATGGCCCCAATCCCGTGGTCCAGATCATTTATAGTGACAAATTTAGAGATGTTTAT GATTACTTCCGAGCTGTCCTGCAGCGTGATGAAAGAAGTGAACGAGCTTTTAAGCTAACC CGGGATGCTATTGAGTTAAATGCAGCCAATTATACAGTGTGGCATTTCCGGAGAGTTCTT TTGAAGTCACTTCAGAAGGATCTACATGAGGAAATGAACTACATCACTGCAATAATTGAG GAGCAGCCCAAAAACTATCAAGTTTGGCATCATAGGCGAGTATTAGTGGAATGGCTAAGA GATCCATCTCAGGAGCTTGAATTTATTGCTGATATTCTTAATCAGGATGCAAAGAATTAT CATGCCTGGCAGCATCGACAATGGGTTATTCAGGAATTTAAACTTTGGGATAATGAGCTG CAGTATGTGGACCAACTTCTGAAAGAGGATGTGAGAAATAACTCTGTCTGGAACCAAAGA TACTTCGTTATTTCTAACACCACTGGCTACAATGATCGTGCTGTATTGGAGAGAGAAGTC CAATACACTCTGGAAATGATTAAACTAGTACCACATAATGAAAGTGCATGGAACTATTTG AAAGGGATTTTGCAGGATCGTGGTCTTTCCAAATATCCTAATCTGTTAAATCAATTACTT GATTTACAACCAAGTCATAGTTCCCCCTACCTAATTGCCTTTCTTGTGGATATCTATGAA GACATGCTAGAAAATCAGTGTGACAATAAGGAAGACATTCTTAATAAAGCATTAGAGTTA TGTGAAATCCTAGCTAAAGAAAAGGACACTATAAGAAAGGAATATTGGAGATACATTGGA AGATCCCTTCAAAGCAAACACAGCACAGAAAATGACTCACCAACAAATGTACAGCAATAA PF01239 PPTA function transferase activity function transferase activity, transferring alkyl or aryl (other than methyl) groups function prenyltransferase activity function protein prenyltransferase activity function catalytic activity process biopolymer modification process protein modification process protein amino acid lipidation process physiological process process protein prenylation process metabolism process protein amino acid prenylation process macromolecule metabolism process biopolymer metabolism BE0002372 Protein farnesyltransferase subunit beta 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 Protein farnesyltransferase subunit beta Involved in catalytic activity Catalyzes the transfer of a farnesyl moiety from farnesyl pyrophosphate to a cysteine at the fourth position from the C-terminus of several proteins. The beta subunit is responsible for peptide-binding FNTB 14q23-q24 None 5.67 48774.0 Human HUGO Gene Nomenclature Committee (HGNC) HGNC:3785 GenAtlas FNTB GeneCards FNTB GenBank Gene Database L00635 UniProtKB P49356 UniProt Accession FNTB_HUMAN CAAX farnesyltransferase subunit beta EC 2.5.1.58 FTase-beta RAS proteins prenyltransferase beta >Protein farnesyltransferase subunit beta MASPSSFTYYCPPSSSPVWSEPLYSLRPEHARERLQDDSVETVTSIEQAKVEEKIQEVFS SYKFNHLVPRLVLQREKHFHYLKRGLRQLTDAYECLDASRPWLCYWILHSLELLDEPIPQ IVATDVCQFLELCQSPEGGFGGGPGQYPHLAPTYAAVNALCIIGTEEAYDIINREKLLQY LYSLKQPDGSFLMHVGGEVDVRSAYCAASVASLTNIITPDLFEGTAEWIARCQNWEGGIG GVPGMEAHGGYTFCGLAALVILKRERSLNLKSLLQWVTSRQMRFEGGFQGRCNKLVDGCY SFWQAGLLPLLHRALHAQGDPALSMSHWMFHQQALQEYILMCCQCPAGGLLDKPGKSRDF YHTCYCLSGLSIAQHFGSGAMLHDVVLGVPENALQPTHPVYNIGPDKVIQATTYFLQKPV PGFEELKDETSAEPATD >1314 bp ATGGCTTCTCCGAGTTCTTTCACCTACTATTGCCCTCCATCTTCCTCCCCCGTCTGGTCA GAGCCGCTGTACAGTCTGAGGCCCGAGCACGCGCGAGAGCGGTTGCAGGACGACTCGGTG GAAACAGTCACGTCCATAGAACAGGCAAAAGTAGAAGAAAAGATCCAAGAGGTCTTCAGT TCTTACAAGTTCAACCACCTTGTACCAAGGCTTGTTTTGCAGAGGGAGAAGCACTTCCAT TATCTGAAAAGAGGCCTTCGACAACTGACAGATGCCTATGAGTGTCTGGATGCCAGCCGC CCATGGCTCTGCTATTGGATCCTGCACAGCTTGGAACTGCTAGATGAACCCATCCCCCAG ATAGTGGCTACAGATGTGTGTCAGTTCCTGGAGCTGTGTCAGAGCCCAGAAGGTGGCTTT GGAGGAGGACCCGGTCAGTATCCACACCTTGCACCCACATATGCAGCAGTCAATGCATTG TGCATCATTGGCACCGAGGAGGCCTATGACATCATTAACAGAGAGAAGCTTCTTCAGTAT TTGTACTCCCTGAAGCAACCTGACGGCTCCTTTCTCATGCATGTCGGAGGTGAGGTGGAT GTGAGAAGCGCATACTGTGCTGCCTCCGTAGCCTCGCTGACCAACATCATCACTCCAGAC CTCTTTGAGGGCACTGCTGAATGGATAGCAAGGTGTCAGAACTGGGAAGGTGGCATTGGC GGGGTACCAGGGATGGAAGCCCATGGTGGCTATACCTTCTGTGGCCTGGCCGCGCTGGTA ATCCTCAAGAGGGAACGTTCCTTGAACTTGAAGAGCTTATTACAATGGGTGACAAGCCGG CAGATGCGATTTGAAGGAGGATTTCAGGGCCGCTGCAACAAGCTGGTGGATGGCTGCTAC TCCTTCTGGCAGGCGGGGCTCCTGCCCCTGCTCCACCGCGCACTGCACGCCCAAGGTGAC CCTGCCCTTAGCATGAGCCACTGGATGTTCCATCAGCAGGCCCTGCAGGAGTACATCCTG ATGTGCTGCCAGTGCCCTGCGGGGGGGCTTCTGGATAAACCTGGCAAGTCGCGTGATTTC TACCACACCTGCTACTGCCTGAGCGGCCTGTCCATAGCCCAGCACTTCGGCAGCGGAGCC ATGTTGCATGATGTGGTCCTGGGTGTGCCCGAAAACGCTCTGCAGCCCACTCACCCAGTG TACAACATTGGACCAGACAAGGTGATCCAGGCCACTACATACTTTCTACAGAAGCCAGTC CCAGGTTTTGAGGAGCTTAAGGATGAGACATCGGCAGAGCCTGCAACCGACTAG PF00432 Prenyltrans function catalytic activity "

All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines3/drugbank_small.nt

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