Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB04249"

PredicateValue (sorted: default)
rdfs:label
"Zinc Substituted Heme C"
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drugbank:description
" experimental This compound belongs to the metallotetrapyrroles. These are polycyclic compounds containing a tetrapyrrole skeleton combined with a metal atom. Metallotetrapyrroles Organic Compounds Heterocyclic Compounds Tetrapyrroles and Derivatives Metallotetrapyrroles Substituted Pyrroles Dicarboxylic Acids and Derivatives Polyols Metalloheterocyclic Compounds Enolates Polyamines Carboxylic Acids substituted pyrrole dicarboxylic acid derivative pyrrole polyol carboxylic acid derivative polyamine enolate carboxylic acid organonitrogen compound logP 4.26 ALOGPS logS -2.8 ALOGPS Water Solubility 1.08e+00 g/l ALOGPS logP -0.12 ChemAxon IUPAC Name 3-[(1S,10Z,15Z)-20-(2-carboxyethyl)-10,15-diethylidene-5,9,14,19-tetramethyl-2,22,23,25-tetraaza-1-zincaoctacyclo[11.9.1.1^{1,8}.1^{3,21}.0^{2,6}.0^{16,23}.0^{18,22}.0^{11,25}]pentacosa-3(24),4,6,8,11,13,16,18,20-nonaen-4-yl]propanoic acid ChemAxon Traditional IUPAC Name zinc substituted heme C ChemAxon Molecular Weight 628.067 ChemAxon Monoisotopic Weight 626.187152174 ChemAxon SMILES C\C=C1\C(C)=C2C=C3N4C(=CC5=C(CCC(O)=O)C(C)=C6C=C7N8C(C=C1N2[Zn@]48N56)=C(C)\C7=C\C)C(CCC(O)=O)=C3C ChemAxon Molecular Formula C34H34N4O4Zn ChemAxon InChI InChI=1S/C34H34N4O4.Zn/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7-,22-8-,26-13-,29-14-,30-15-,31-16-; ChemAxon InChIKey InChIKey=OSHBEULYPOLYCE-STIJKOADSA-N ChemAxon Polar Surface Area (PSA) 89.25 ChemAxon Refractivity 174.1 ChemAxon Polarizability 69.97 ChemAxon Rotatable Bond Count 6 ChemAxon H Bond Acceptor Count 7 ChemAxon H Bond Donor Count 2 ChemAxon pKa (strongest acidic) 3.15 ChemAxon pKa (strongest basic) 9.11 ChemAxon Physiological Charge -1 ChemAxon Number of Rings 8 ChemAxon Bioavailability 1 ChemAxon MDDR-Like Rule true ChemAxon PubChem Compound 46936932 PubChem Substance 46508051 PDB HES BE0001009 Cytochrome c Human # 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 unknown Cytochrome c Energy production and conversion Plays a role in apoptosis. Suppression of the anti- apoptotic members or activation of the pro-apoptotic members of the Bcl-2 family leads to altered mitochondrial membrane permeability resulting in release of cytochrome c into the cytosol. Binding of cytochrome c to Apaf-1 triggers the activation of caspase-9, which then accelerates apoptosis by activating other caspases CYCS 7p15.2 Mitochondrion; mitochondrial matrix None 10.16 11749.0 Human HUGO Gene Nomenclature Committee (HGNC) HGNC:19986 GenAtlas CYCS GeneCards CYCS GenBank Gene Database M22877 GenBank Protein Database 181242 UniProtKB P99999 UniProt Accession CYC_HUMAN >Cytochrome c MGDVEKGKKIFIMKCSQCHTVEKGGKHKTGPNLHGLFGRKTGQAPGYSYTAANKNKGIIW GEDTLMEYLENPKKYIPGTKMIFVGIKKKEERADLIAYLKKATNE >318 bp ATGGGTGATGTTGAGAAAGGCAAGAAGATTTTTATTATGAAGTGTTCCCAGTGCCACACC GTTGAAAAGGGAGGCAAGCACAAGACTGGGCCAAATCTCCATGGTCTCTTTGGGCGGAAG ACAGGTCAGGCCCCTGGATACTCTTACACAGCCGCCAATAAGAACAAAGGCATCATCTGG GGAGAGGATACACTGATGGAGTATTTGGAGAATCCCAAGAAGTACATCCCTGGAACAAAA ATGATCTTTGTCGGCATTAAGAAGAAGGAAGAAAGGGCAGACTTAATAGCTTATCTCAAA AAAGCTACTAATGAGTAA PF00034 Cytochrom_C function transporter activity function electron transporter activity function tetrapyrrole binding function heme binding function binding process metabolism process cellular metabolism process generation of precursor metabolites and energy process electron transport process physiological process "
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