Resource Methicillin Acyl-Serine

Predicate	Value (sorted: default)
rdfs:label	"Methicillin Acyl-Serine"
rdf:type	drugbank:drugs
drugbank:description	" experimental This compound belongs to the hippuric acid derivatives. These are compounds containing an hippuric acid or a derivative, with a structure characterized the presence of a benzoyl group linked to the N-terminal of a glycine. Hippuric Acid Derivatives Organic Compounds Benzenoids Benzene and Substituted Derivatives Benzamides N-acyl-alpha Amino Acids and Derivatives Alpha Amino Acid Esters Salicylamides Tricarboxylic Acids and Derivatives Benzoyl Derivatives Anisoles Alkyl Aryl Ethers Thiazolidines Hemiaminals Secondary Carboxylic Acid Amides Carboxylic Acid Esters Carboxylic Acids Thioethers Dialkylamines Polyamines Enolates Aminals Carboxylic Acid Salts Monoalkylamines salicylamide alpha-amino acid or derivative salicylic acid or derivative tricarboxylic acid derivative anisole phenol ether benzoyl alkyl aryl ether thiazolidine carboxylic acid ester carboxamide group hemiaminal secondary carboxylic acid amide ether aminal polyamine thioether secondary amine carboxylic acid carboxylic acid salt enolate carboxylic acid derivative secondary aliphatic amine primary amine primary aliphatic amine organonitrogen compound amine DB00563 Methotrexate The penicillin increases the effect and toxicity of methotrexate DB01017 Minocycline Possible antagonism of action DB00759 Tetracycline Possible antagonism of action logP 0.85 ALOGPS logS -2.7 ALOGPS Water Solubility 9.49e-01 g/l ALOGPS logP -4.6 ChemAxon IUPAC Name (2R,4R)-2-[(1S)-2-[(2R)-2-amino-2-carboxylatoethoxy]-1-[(2,6-dimethoxyphenyl)formamido]-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylate ChemAxon Traditional IUPAC Name methicillin acyl-serine ChemAxon Molecular Weight 483.492 ChemAxon Monoisotopic Weight 483.131150103 ChemAxon SMILES COC1=CC=CC(OC)=C1C(=O)N[C@H]([C@@H]1N[C@H](C([O-])=O)C(C)(C)S1)C(=O)OC[C@@H](N)C([O-])=O ChemAxon Molecular Formula C20H25N3O9S ChemAxon InChI InChI=1S/C20H27N3O9S/c1-20(2)14(18(27)28)23-16(33-20)13(19(29)32-8-9(21)17(25)26)22-15(24)12-10(30-3)6-5-7-11(12)31-4/h5-7,9,13-14,16,23H,8,21H2,1-4H3,(H,22,24)(H,25,26)(H,27,28)/p-2/t9-,13-,14-,16-/m1/s1 ChemAxon InChIKey InChIKey=GFYFFUGNPVBDAK-APGPQJPKSA-L ChemAxon Polar Surface Area (PSA) 192.17 ChemAxon Refractivity 136.7 ChemAxon Polarizability 46 ChemAxon Rotatable Bond Count 11 ChemAxon H Bond Acceptor Count 10 ChemAxon H Bond Donor Count 3 ChemAxon pKa (strongest acidic) 1.02 ChemAxon pKa (strongest basic) 8.6 ChemAxon Physiological Charge -1 ChemAxon Number of Rings 2 ChemAxon Bioavailability 1 ChemAxon Rule of Five true ChemAxon PubChem Compound 46936385 PubChem Substance 46506281 ChemSpider 3676230 PDB MC1 BE0001904 Beta-lactam-inducible penicillin-binding protein Staphylococcus aureus # 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 unknown Beta-lactam-inducible penicillin-binding protein Cell wall/membrane/envelope biogenesis pbp None 9.59 76464.0 Staphylococcus aureus GenBank Gene Database Y00688 GenBank Protein Database 46629 UniProtKB P07944 UniProt Accession PBP_STAAU >Beta-lactam-inducible penicillin-binding protein MKKIKIVPLILIVVVVGFGIYFYASKDKEINNTIDAIEDKNFKQVYKDSSYISKSDNGEV EMTERPIKIYNSLGVKDINIQDRKIKKVSKNKKRVDAQYKIKTNYGNIDRNVQFNFVKED GMWKLDWDHSVIIPGMQKDQSIHIENLKSERGKILDRNNVELANTGTHMRLGIVPKNVSK KDYKAIAKELSISEDYINNKWIKIGYKMIPSFHFKTVKKMDEYLSDFAKKFHLTTNETES RNYPLGKATSHLLGYVGPINSEELKQKEYKGYKDDAVIGKKGLEKLYDKKLQHEDGYRVT IVRVDDNSNTIAHTLIEKKKKDGKDIQLTIDAKVQKSIYNNMKNDYGSGTAIHPQTGELL ALVSTPSYDVYPFMYGMSNEEYNKLTEDKKEPLLNKFQITTSPGSTQKILTAMIGLNNKT LDDKTSYKIDGKGWQKDKSWGGYNVTRYEVVNGNIDLKQAIESSDNIFFARVALELGSKK FEKGMKKLGVGEDIPSDYPFYNAQISNKNLDNEILLADSGYGQGEILINPVQILSIYSAL ENNGNINAPHLLKDTKNKVWKKNIISKENINLLNDGMQQVVNKTHKEDIYRSYANLIGKS GTAELKMKQGETGRQIGWFISYDKDNPNMMMAINVKDVQDKGMASYNAKISGKVYDELYE NGNKKYDIDE >2013 bp ATGAAAAAGATAAAAATTGTTCCACTTATTTTAATAGTTGTAGTTGTCGGGTTTGGTATA TATTTTTATGCTTCAAAAGATAAAGAAATTAATAATACTATTGATGCAATTGAAGATAAA AATTTCAAACAAGTTTATAAAGATAGCAGTTATATTTCTAAAAGCGATAATGGTGAAGTA GAAATGACTGAACGTCCGATAAAAATATATAATAGTTTAGGCGTTAAAGATATAAACATT CAGGATCGTAAAATAAAAAAAGTATCTAAAAATAAAAAACGAGTAGATGCTCAATATAAA ATTAAAACAAACTACGGTAACATTGATCGCAACGTTCAATTTAATTTTGTTAAAGAAGAT GGTATGTGGAAGTTAGATTGGGATCATAGCGTCATTATTCCAGGAATGCAGAAAGACCAA AGCATACATATTGAAAATTTAAAATCAGAACGTGGTAAAATTTTAGACCGAAACAATGTG GAATTGGCCAATACAGGAACACATATGAGATTAGGCATCGTTCCAAAGAATGTATCTAAA AAAGATTATAAAGCAATCGCTAAAGAACTAAGTATTTCTGAAGACTATATCAACAACAAA TGGATCAAAATTGGGTACAAGATGATACCTTCGTTCCACTTTAAAACCGTTAAAAAAATG GATGAATATTTAAGTGATTTCGCAAAAAAATTTCATCTTACAACTAATGAAACAGAAAGT CGTAACTATCCTCTAGGAAAAGCGACTTCACATCTATTAGGTTATGTTGGTCCCATTAAC TCTGAAGAATTAAAACAAAAAGAATATAAAGGCTATAAAGATGATGCAGTTATTGGTAAA AAGGGACTCGAAAAACTTTACGATAAAAAGCTCCAACATGAAGATGGCTATCGTGTCACA ATCGTTAGAGTCGACGATAATAGCAATACAATCGCACATACATTAATAGAGAAAAAGAAA AAAGATGGCAAAGATATTCAACTAACTATTGATGCTAAAGTTCAAAAGAGTATTTATAAC AACATGAAAAATGATTATGGCTCAGGTACTGCTATCCACCCTCAAACAGGTGAATTATTA GCACTTGTAAGCACACCTTCATATGACGTCTATCCATTTATGTATGGCATGAGTAACGAA GAATATAATAAATTAACCGAAGATAAAAAAGAACCTCTGCTCAACAAGTTCCAGATTACA ACTTCACCAGGTTCAACTCAAAAAATATTAACAGCAATGATTGGGTTAAATAACAAAACA TTAGACGATAAAACAAGTTATAAAATCGATGGTAAAGGTTGGCAAAAAGATAAATCTTGG GGTGGTTACAACGTTACAAGATATGAAGTGGTAAATGGTAATATCGACTTAAAACAAGCA ATAGAATCATCAGATAACATTTTCTTTGCTAGAGTAGCACTCGAATTAGGCAGTAAGAAA TTTGAAAAAGGCATGAAAAAACTAGGTGTTGGTGAAGATATACCAAGTGATTATCCATTT TATAATGCTCAAATTTCAAACAAAAATTTAGATAATGAAATATTATTAGCTGATTCAGGT TACGGACAAGGTGAAATACTGATTAACCCAGTACAGATCCTTTCAATCTATAGCGCATTA GAAAATAATGGCAATATTAACGCACCTCACTTATTAAAAGACACGAAAAACAAAGTTTGG AAGAAAAATATTATTTCCAAAGAAAATATCAATCTATTAAATGATGGTATGCAACAAGTC GTAAATAAAACACATAAAGAAGATATTTATAGATCTTATGCAAACTTAATTGGCAAATCC GGTACTGCAGAACTCAAAATGAAACAAGGAGAAACTGGCAGACAAATTGGGTGGTTTATA TCATATGATAAAGATAATCCAAACATGATGATGGCTATTAATGTTAAAGATGTACAAGAT AAAGGAATGGCTAGCTACAATGCCAAAATCTCAGGTAAAGTGTATGATGAGCTATATGAG AACGGTAATAAAAAATACGATATAGATGAATAA PF03717 PBP_dimer PF00905 Transpeptidase PF05223 MecA_N function penicillin binding function binding function drug binding process response to drug process physiological process process response to antibiotic process cellular physiological process process cell organization and biogenesis process external encapsulating structure organization and biogenesis process cell wall organization and biogenesis process cell wall organization and biogenesis (sensu Bacteria) process cell wall biosynthesis (sensu Bacteria) process response to stimulus process response to abiotic stimulus process response to chemical stimulus "
drugbank:interactsWith	drug:Methotrexate drug:Tetracycline drug:Minocycline
owl:sameAs	drug:Methotrexate drug:Tetracycline drug:Minocycline drug:EXPT02130

"Methicillin Acyl-Serine"

" experimental This compound belongs to the hippuric acid derivatives. These are compounds containing an hippuric acid or a derivative, with a structure characterized the presence of a benzoyl group linked to the N-terminal of a glycine. Hippuric Acid Derivatives Organic Compounds Benzenoids Benzene and Substituted Derivatives Benzamides N-acyl-alpha Amino Acids and Derivatives Alpha Amino Acid Esters Salicylamides Tricarboxylic Acids and Derivatives Benzoyl Derivatives Anisoles Alkyl Aryl Ethers Thiazolidines Hemiaminals Secondary Carboxylic Acid Amides Carboxylic Acid Esters Carboxylic Acids Thioethers Dialkylamines Polyamines Enolates Aminals Carboxylic Acid Salts Monoalkylamines salicylamide alpha-amino acid or derivative salicylic acid or derivative tricarboxylic acid derivative anisole phenol ether benzoyl alkyl aryl ether thiazolidine carboxylic acid ester carboxamide group hemiaminal secondary carboxylic acid amide ether aminal polyamine thioether secondary amine carboxylic acid carboxylic acid salt enolate carboxylic acid derivative secondary aliphatic amine primary amine primary aliphatic amine organonitrogen compound amine DB00563 Methotrexate The penicillin increases the effect and toxicity of methotrexate DB01017 Minocycline Possible antagonism of action DB00759 Tetracycline Possible antagonism of action logP 0.85 ALOGPS logS -2.7 ALOGPS Water Solubility 9.49e-01 g/l ALOGPS logP -4.6 ChemAxon IUPAC Name (2R,4R)-2-[(1S)-2-[(2R)-2-amino-2-carboxylatoethoxy]-1-[(2,6-dimethoxyphenyl)formamido]-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylate ChemAxon Traditional IUPAC Name methicillin acyl-serine ChemAxon Molecular Weight 483.492 ChemAxon Monoisotopic Weight 483.131150103 ChemAxon SMILES COC1=CC=CC(OC)=C1C(=O)N[C@H]([C@@H]1N[C@H](C([O-])=O)C(C)(C)S1)C(=O)OC[C@@H](N)C([O-])=O ChemAxon Molecular Formula C20H25N3O9S ChemAxon InChI InChI=1S/C20H27N3O9S/c1-20(2)14(18(27)28)23-16(33-20)13(19(29)32-8-9(21)17(25)26)22-15(24)12-10(30-3)6-5-7-11(12)31-4/h5-7,9,13-14,16,23H,8,21H2,1-4H3,(H,22,24)(H,25,26)(H,27,28)/p-2/t9-,13-,14-,16-/m1/s1 ChemAxon InChIKey InChIKey=GFYFFUGNPVBDAK-APGPQJPKSA-L ChemAxon Polar Surface Area (PSA) 192.17 ChemAxon Refractivity 136.7 ChemAxon Polarizability 46 ChemAxon Rotatable Bond Count 11 ChemAxon H Bond Acceptor Count 10 ChemAxon H Bond Donor Count 3 ChemAxon pKa (strongest acidic) 1.02 ChemAxon pKa (strongest basic) 8.6 ChemAxon Physiological Charge -1 ChemAxon Number of Rings 2 ChemAxon Bioavailability 1 ChemAxon Rule of Five true ChemAxon PubChem Compound 46936385 PubChem Substance 46506281 ChemSpider 3676230 PDB MC1 BE0001904 Beta-lactam-inducible penicillin-binding protein Staphylococcus aureus # 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 unknown Beta-lactam-inducible penicillin-binding protein Cell wall/membrane/envelope biogenesis pbp None 9.59 76464.0 Staphylococcus aureus GenBank Gene Database Y00688 GenBank Protein Database 46629 UniProtKB P07944 UniProt Accession PBP_STAAU >Beta-lactam-inducible penicillin-binding protein MKKIKIVPLILIVVVVGFGIYFYASKDKEINNTIDAIEDKNFKQVYKDSSYISKSDNGEV EMTERPIKIYNSLGVKDINIQDRKIKKVSKNKKRVDAQYKIKTNYGNIDRNVQFNFVKED GMWKLDWDHSVIIPGMQKDQSIHIENLKSERGKILDRNNVELANTGTHMRLGIVPKNVSK KDYKAIAKELSISEDYINNKWIKIGYKMIPSFHFKTVKKMDEYLSDFAKKFHLTTNETES RNYPLGKATSHLLGYVGPINSEELKQKEYKGYKDDAVIGKKGLEKLYDKKLQHEDGYRVT IVRVDDNSNTIAHTLIEKKKKDGKDIQLTIDAKVQKSIYNNMKNDYGSGTAIHPQTGELL ALVSTPSYDVYPFMYGMSNEEYNKLTEDKKEPLLNKFQITTSPGSTQKILTAMIGLNNKT LDDKTSYKIDGKGWQKDKSWGGYNVTRYEVVNGNIDLKQAIESSDNIFFARVALELGSKK FEKGMKKLGVGEDIPSDYPFYNAQISNKNLDNEILLADSGYGQGEILINPVQILSIYSAL ENNGNINAPHLLKDTKNKVWKKNIISKENINLLNDGMQQVVNKTHKEDIYRSYANLIGKS GTAELKMKQGETGRQIGWFISYDKDNPNMMMAINVKDVQDKGMASYNAKISGKVYDELYE NGNKKYDIDE >2013 bp ATGAAAAAGATAAAAATTGTTCCACTTATTTTAATAGTTGTAGTTGTCGGGTTTGGTATA TATTTTTATGCTTCAAAAGATAAAGAAATTAATAATACTATTGATGCAATTGAAGATAAA AATTTCAAACAAGTTTATAAAGATAGCAGTTATATTTCTAAAAGCGATAATGGTGAAGTA GAAATGACTGAACGTCCGATAAAAATATATAATAGTTTAGGCGTTAAAGATATAAACATT CAGGATCGTAAAATAAAAAAAGTATCTAAAAATAAAAAACGAGTAGATGCTCAATATAAA ATTAAAACAAACTACGGTAACATTGATCGCAACGTTCAATTTAATTTTGTTAAAGAAGAT GGTATGTGGAAGTTAGATTGGGATCATAGCGTCATTATTCCAGGAATGCAGAAAGACCAA AGCATACATATTGAAAATTTAAAATCAGAACGTGGTAAAATTTTAGACCGAAACAATGTG GAATTGGCCAATACAGGAACACATATGAGATTAGGCATCGTTCCAAAGAATGTATCTAAA AAAGATTATAAAGCAATCGCTAAAGAACTAAGTATTTCTGAAGACTATATCAACAACAAA TGGATCAAAATTGGGTACAAGATGATACCTTCGTTCCACTTTAAAACCGTTAAAAAAATG GATGAATATTTAAGTGATTTCGCAAAAAAATTTCATCTTACAACTAATGAAACAGAAAGT CGTAACTATCCTCTAGGAAAAGCGACTTCACATCTATTAGGTTATGTTGGTCCCATTAAC TCTGAAGAATTAAAACAAAAAGAATATAAAGGCTATAAAGATGATGCAGTTATTGGTAAA AAGGGACTCGAAAAACTTTACGATAAAAAGCTCCAACATGAAGATGGCTATCGTGTCACA ATCGTTAGAGTCGACGATAATAGCAATACAATCGCACATACATTAATAGAGAAAAAGAAA AAAGATGGCAAAGATATTCAACTAACTATTGATGCTAAAGTTCAAAAGAGTATTTATAAC AACATGAAAAATGATTATGGCTCAGGTACTGCTATCCACCCTCAAACAGGTGAATTATTA GCACTTGTAAGCACACCTTCATATGACGTCTATCCATTTATGTATGGCATGAGTAACGAA GAATATAATAAATTAACCGAAGATAAAAAAGAACCTCTGCTCAACAAGTTCCAGATTACA ACTTCACCAGGTTCAACTCAAAAAATATTAACAGCAATGATTGGGTTAAATAACAAAACA TTAGACGATAAAACAAGTTATAAAATCGATGGTAAAGGTTGGCAAAAAGATAAATCTTGG GGTGGTTACAACGTTACAAGATATGAAGTGGTAAATGGTAATATCGACTTAAAACAAGCA ATAGAATCATCAGATAACATTTTCTTTGCTAGAGTAGCACTCGAATTAGGCAGTAAGAAA TTTGAAAAAGGCATGAAAAAACTAGGTGTTGGTGAAGATATACCAAGTGATTATCCATTT TATAATGCTCAAATTTCAAACAAAAATTTAGATAATGAAATATTATTAGCTGATTCAGGT TACGGACAAGGTGAAATACTGATTAACCCAGTACAGATCCTTTCAATCTATAGCGCATTA GAAAATAATGGCAATATTAACGCACCTCACTTATTAAAAGACACGAAAAACAAAGTTTGG AAGAAAAATATTATTTCCAAAGAAAATATCAATCTATTAAATGATGGTATGCAACAAGTC GTAAATAAAACACATAAAGAAGATATTTATAGATCTTATGCAAACTTAATTGGCAAATCC GGTACTGCAGAACTCAAAATGAAACAAGGAGAAACTGGCAGACAAATTGGGTGGTTTATA TCATATGATAAAGATAATCCAAACATGATGATGGCTATTAATGTTAAAGATGTACAAGAT AAAGGAATGGCTAGCTACAATGCCAAAATCTCAGGTAAAGTGTATGATGAGCTATATGAG AACGGTAATAAAAAATACGATATAGATGAATAA PF03717 PBP_dimer PF00905 Transpeptidase PF05223 MecA_N function penicillin binding function binding function drug binding process response to drug process physiological process process response to antibiotic process cellular physiological process process cell organization and biogenesis process external encapsulating structure organization and biogenesis process cell wall organization and biogenesis process cell wall organization and biogenesis (sensu Bacteria) process cell wall biosynthesis (sensu Bacteria) process response to stimulus process response to abiotic stimulus process response to chemical stimulus "

owl:sameAs

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