Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB04150"

Predicate	Value (sorted: default)
rdfs:label	"Threonine Derivative"
rdf:type	drugbank:drugs
drugbank:description	" experimental This compound belongs to the peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another. Peptides Organic Compounds Organic Acids and Derivatives Carboxylic Acids and Derivatives Amino Acids, Peptides, and Analogues N-acyl-alpha Amino Acids Alpha Amino Acid Amides Amphetamines and Derivatives Phenylpropylamines o-Iodophenols Iodobenzenes Beta Hydroxy Acids and Derivatives Amino Fatty Acids Aryl Iodides Polyols Secondary Alcohols Secondary Carboxylic Acid Amides Enols Polyamines Enolates Carboxylic Acids Organoiodides n-acyl-alpha-amino acid n-acyl-alpha amino acid or derivative alpha-amino acid amide amphetamine or derivative phenylpropylamine alpha-amino acid or derivative 2-iodophenol 2-halophenol iodobenzene phenol derivative beta-hydroxy acid benzene aryl halide hydroxy acid aryl iodide secondary carboxylic acid amide carboxamide group polyol secondary alcohol enolate polyamine enol carboxylic acid organohalogen alcohol organonitrogen compound organoiodide amine logP 2.42 ALOGPS logS -3.6 ALOGPS Water Solubility 1.58e-01 g/l ALOGPS logP 1.28 ChemAxon IUPAC Name (2R,3R)-2-[(2R)-2-acetamido-3-(4-hydroxy-3,5-diiodophenyl)propanamido]-3-hydroxybutanoic acid ChemAxon Traditional IUPAC Name threonine derivative ChemAxon Molecular Weight 576.1222 ChemAxon Monoisotopic Weight 575.925423158 ChemAxon SMILES C[C@@H](O)[C@@H](NC(=O)[C@@H](CC1=CC(I)=C(O)C(I)=C1)NC(C)=O)C(O)=O ChemAxon Molecular Formula C15H18I2N2O6 ChemAxon InChI InChI=1S/C15H18I2N2O6/c1-6(20)12(15(24)25)19-14(23)11(18-7(2)21)5-8-3-9(16)13(22)10(17)4-8/h3-4,6,11-12,20,22H,5H2,1-2H3,(H,18,21)(H,19,23)(H,24,25)/t6-,11-,12-/m1/s1 ChemAxon InChIKey InChIKey=TWMKRGDZEJLDDH-JPWUCKPDSA-N ChemAxon Polar Surface Area (PSA) 135.96 ChemAxon Refractivity 106.53 ChemAxon Polarizability 42.71 ChemAxon Rotatable Bond Count 7 ChemAxon H Bond Acceptor Count 6 ChemAxon H Bond Donor Count 5 ChemAxon pKa (strongest acidic) 2.57 ChemAxon pKa (strongest basic) -1.4 ChemAxon Physiological Charge -1 ChemAxon Number of Rings 1 ChemAxon Bioavailability 1 ChemAxon PubChem Compound 17754049 PubChem Substance 46505151 PDB IYT BE0002200 Peptidyl-glycine alpha-amidating monooxygenase 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 Peptidyl-glycine alpha-amidating monooxygenase Bifunctional enzyme that catalyzes 2 sequencial steps in C-terminal alpha-amidation of peptides. The monooxygenase part produces an unstable peptidyl(2-hydroxyglycine) intermediate that is dismutated to glyoxylate and the corresponding desglycine peptide amide by the lyase part. C-terminal amidation of peptides such as neuropeptides is essential for full biological activity PAM 5q14-q21 Membrane 864-887 6.39 108333.0 Human HUGO Gene Nomenclature Committee (HGNC) HGNC:8596 GenAtlas PAM GeneCards PAM GenBank Gene Database M37721 GenBank Protein Database 189595 UniProtKB P19021 UniProt Accession AMD_HUMAN EC 1.14.17.3 PAM Peptidyl-alpha-hydroxyglycine alpha-amidating lyase (EC 4.3.2.5 Peptidyl-glycine alpha-amidating monooxygenase precursor Peptidylamidoglycolate lyase PHM) >Peptidyl-glycine alpha-amidating monooxygenase MAGRVPSLLVLLVFPSSCLAFRSPLSVFKRFKETTRPFSNECLGTTRPVVPIDSSDFALD IRMPGVTPKQSDTYFCMSMRIPVDEEAFVIDFKPRASMDTVHHMLLFGCNMPSSTGSYWF CDEGTCTDKANILYAWARNAPPTRLPKGVGFRVGGETGSKYFVLQVHYGDISAFRDNNKD CSGVSLHLTRLPQPLIAGMYLMMSVDTVIPAGEKVVNSDISCHYKNYPMHVFAYRVHTHH LGKVVSGYRVRNGQWTLIGRQSPQLPQAFYPVGHPVDVSFGDLLAARCVFTGEGRTEATH IGGTSSDEMCNLYIMYYMEAKHAVSFMTCTQNVAPDMFRTIPPEANIPIPVKSDMVMMHE HHKETEYKDKIPLLQQPKREEEEVLDQGDFYSLLSKLLGEREDVVHVHKYNPTEKAESES DLVAEIANVVQKKDLGRSDAREGAEHERGNAILVRDRIHKFHRLVSTLRPPESRVFSLQQ PPPGEGTWEPEHTGDFHMEEALDWPGVYLLPGQVSGVALDPKNNLVIFHRGDHVWDGNSF DSKFVYQQIGLGPIEEDTILVIDPNNAAVLQSSGKNLFYLPHGLSIDKDGNYWVTDVALH QVFKLDPNNKEGPVLILGRSMQPGSDQNHFCQPTDVAVDPGTGAIYVSDGYCNSRIVQFS PSGKFITQWGEESSGSSPLPGQFTVPHSLALVPLLGQLCVADRENGRIQCFKTDTKEFVR EIKHSSFGRNVFAISYIPGLLFAVNGKPHFGDQEPVQGFVMNFSNGEIIDIFKPVRKHFD MPHDIVASEDGTVYIGDAHTNTVWKFTLTEKLEHRSVKKAGIEVQEIKEAEAVVETKMEN KPTSSELQKMQEKQKLIKEPGSGVPVVLITTLLVIPVVVLLAIAIFIRWKKSRAFGDSEH KLETSSGRVLGRFRGKGSGGLNLGNFFASRKGYSRKGFDRLSTEGSDQEKEDDGSESEEE YSAPLPALAPSSS >2925 bp ATGGCTGGCCGCGTCCCTAGCCTGCTAGTTCTCCTTGTTTTTCCAAGCAGCTGTTTGGCT TTCCGAAGCCCACTTTCTGTCTTTAAGAGGTTTAAAGAAACTACCAGACCATTTTCCAAT GAATGTCTTGGTACCACCAGACCCGTAGTTCCTATTGATTCATCAGATTTTGCATTGGAT ATTCGCATGCCTGGGGTTACACCTAAACAGTCCGATACATACTTCTGCATGTCTATGCGA ATACCAGTGGATGAGGAAGCCTTCGTGATTGACTTCAAGCCTCGAGCCAGCATGGATACT GTCCATCACATGTTACTTTTTGGATGCAATATGCCTTCATCCACTGGAAGTTACTGGTTT TGTGATGAAGGAACCTGTACAGATAAAGCCAATATTCTGTATGCCTGGGCGAGAAATGCT CCCCCTACCCGGCTCCCCAAAGGTGTTGGATTCAGAGTTGGAGGAGAGACTGGAAGTAAA TACTTTGTACTACAGGTACACTATGGGGATATTAGTGCTTTTAGAGATAATAACAAGGAC TGTTCTGGTGTGTCCTTACACCTCACACGTCTGCCACAGCCTTTAATTGCTGGCATGTAC CTTATGATGTCTGTTGACACTGTTATCCCAGCAGGAGAAAAAGTGGTGAATTCTGACATT TCATGCCATTATAAAAATTATCCAATGCATGTCTTTGCCTATAGAGTTCACACTCACCAT TTAGGTAAGGTAGTAAGTGGATACAGAGTAAGAAATGGACAGTGGACACTGATTGGACGG CAGAGCCCTCAGCTGCCACAGGCTTTCTACCCTGTGGGGCATCCAGTTGATGTAAGTTTT GGTGACCTACTGGCTGCAAGATGTGTATTCACTGGTGAAGGAAGGACAGAAGCCACACAC ATTGGTGGCACGTCTAGTGATGAAATGTGCAACTTATACATTATGTATTACATGGAAGCC AAGCATGCAGTTTCTTTCATGACCTGTACCCAGAATGTAGCTCCAGATATGTTCAGAACC ATACCACCAGAGGCCAACATTCCAATTCCCGTGAAGTCTGATATGGTTATGATGCATGAA CATCATAAAGAAACAGAATATAAAGATAAGATTCCTTTACTACAGCAGCCAAAACGAGAA GAAGAAGAAGTGTTAGACCAGGGTGATTTCTATTCACTACTTTCCAAGCTGCTAGGAGAA AGGGAAGATGTTGTTCATGTGCACAAATATAATCCTACAGAAAAGGCAGAATCAGAGTCA GACCTGGTAGCTGAGATTGCAAATGTAGTCCAAAAAAAGGATCTTGGTCGATCTGATGCC AGAGAGGGTGCAGAACATGAGAGGGGTAATGCTATTCTTGTCAGAGACAGAATTCACAAA TTCCACAGACTAGTATCTACCTTGAGGCCACCAGAGAGCAGAGTTTTCTCATTACAGCAG CCCCCACCTGGTGAAGGCACCTGGGAACCAGAACACACAGGAGATTTCCACATGGAAGAG GCACTGGATTGGCCTGGAGTATACTTGTTACCAGGCCAGGTTTCTGGGGTGGCTCTAGAC CCTAAGAATAACCTGGTGATTTTCCACAGAGGTGACCATGTCTGGGATGGAAACTCGTTT GACAGCAAGTTTGTTTACCAGCAAATAGGACTCGGACCAATTGAAGAAGACACTATTCTT GTCATAGATCCAAATAATGCTGCAGTACTCCAGTCCAGTGAAAAAAATCTGTTTTACTTG CCACATGGCTTGAGTATAGATAAAGATGGGAATTATTGGGTCACAGACGTGGCTCTCCAT CAGGTGTTCAAACTGGATCCAAACAATAAAGAAGGCCCTGTATTAATCCTGGGAAGGAGC ATGCAACCAGGCAGTGACCAGAATCACTTCTGTCAACCCACTGATGTGGCTGTGGATCCA GGCACTGGAGCCATTTATGTATCAGATGGTTACTGCAACAGCAGGATTGTGCAGTTTTCA CCAAGTGGAAAGTTCATCACACAGTGGGGAGAAGAGTCTTCAGGGAGCAGTCCTCTGCCA GGCCAGTTCACTGTTCCTCACAGCTTGGCTCTTGTGCCTCTTTTGGGCCAATTATGTGTG GCAGACCGGGAAAATGGTCGGATCCAGTGTTTTAAAACTGACACCAAAGAATTTGTGAGA GAGATTAAGCATTCATCATTTGGAAGAAATGTATTTGCAATTTCATATATACCAGGCTTG CTCTTTGCAGTGAATGGGAAGCCTCATTTTGGGGACCAAGAACCTGTACAAGGATTTGTG ATGAACTTTTCCAATGGGGAAATTATAGACATCTTCAAGCCAGTGCGCAAGCACTTTGAT ATGCCTCATGATATTGTTGCATCTGAAGATGGGACCGTGTACATTGGAGATGCTCATACC AACACCGTGTGGAAGTTCACCTTGACTGAGAAATTGGAACATCGATCAGTTAAAAAGGCT GGCATTGAGGTCCAGGAAATCAAAGAAGCCGAGGCAGTTGTTGAAACCAAAATGGAGAAC AAACCCACCTCCTCAGAATTGCAGAAGATGCAAGAGAAACAGAAGCTGATCAAAGAGCCA GGCTCGGGAGTGCCTGTTGTTCTCATTACAACCCTTCTGGTTATTCCGGTGGTTGTCCTG CTGGCCATTGCCATATTTATTCGGTGGAAAAAATCAAGGGCCTTTGGAGCAGATTCTGAA CACAAACTCGAGACGAGTTCAGGAAGAGTACTGGGAAGATTTAGAGGAAAGGGAAGTGGA GGCTTAAACCTTGGTAATTTCTTTGCAAGCCGTAAGGGCTACAGTCGAAAAGGGTTTGAC CGGCTTAGCACTGAGGGCAGTGACCAAGAGAAAGAGGATGATGGAAGTGAATCAGAAGAG GAGTATTCAGCACCTCTGCCTGCGCTCGCACCTTCCTCCTCCTGA PF03712 Cu2_monoox_C PF01082 Cu2_monooxygen PF01436 NHL component cell component membrane function oxidoreductase activity function ion binding function cation binding function transition metal ion binding function monooxygenase activity function binding function copper ion binding function catalytic activity function oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen, reduced ascorbate as one donor, and incorporation of one atom of oxygen function peptidylglycine monooxygenase activity process physiological process process metabolism process cellular metabolism process peptide metabolism "
owl:sameAs	drug:EXPT01952

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