Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB08314"

Predicate	Value (sorted: default)
rdfs:label	"(2-AMINO-1,3-OXAZOL-5-YL)-(3-BROMOPHENYL)METHANONE"
rdf:type	drugbank:drugs
drugbank:description	" experimental This compound belongs to the acetophenones. These are organic compounds containing the acetophenone structure. Acetophenones Organic Compounds Benzenoids Benzene and Substituted Derivatives Acetophenones Benzoyl Derivatives 2,5-disubstituted Oxazoles Bromobenzenes Primary Aromatic Amines Aryl Bromides Ketones Polyamines Enolates Organobromides benzoyl 2,5-disubstituted 1,3-oxazole bromobenzene primary aromatic amine aryl halide aryl bromide azole oxazole ketone enolate polyamine carbonyl group organohalogen primary amine organobromide organonitrogen compound amine logP 2.05 ALOGPS logS -3 ALOGPS Water Solubility 3.03e-01 g/l ALOGPS logP 1.92 ChemAxon IUPAC Name 5-[(3-bromophenyl)carbonyl]-1,3-oxazol-2-amine ChemAxon Traditional IUPAC Name 5-[(3-bromophenyl)carbonyl]-1,3-oxazol-2-amine ChemAxon Molecular Weight 267.079 ChemAxon Monoisotopic Weight 265.969090125 ChemAxon SMILES NC1=NC=C(O1)C(=O)C1=CC(Br)=CC=C1 ChemAxon Molecular Formula C10H7BrN2O2 ChemAxon InChI InChI=1S/C10H7BrN2O2/c11-7-3-1-2-6(4-7)9(14)8-5-13-10(12)15-8/h1-5H,(H2,12,13) ChemAxon InChIKey InChIKey=YDCMMVTWXORJGO-UHFFFAOYSA-N ChemAxon Polar Surface Area (PSA) 69.12 ChemAxon Refractivity 59.02 ChemAxon Polarizability 22.1 ChemAxon Rotatable Bond Count 2 ChemAxon H Bond Acceptor Count 3 ChemAxon H Bond Donor Count 1 ChemAxon pKa (strongest acidic) 13.58 ChemAxon pKa (strongest basic) 1.32 ChemAxon Physiological Charge 0 ChemAxon Number of Rings 2 ChemAxon Bioavailability 1 ChemAxon Rule of Five true ChemAxon Ghose Filter true ChemAxon PubChem Compound 25271554 PubChem Substance 99444785 PDB OA1 BE0004154 Biotin carboxylase Escherichia coli (strain K12) # 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 Biotin carboxylase Lipid transport and metabolism This protein is a component of the acetyl coenzyme A carboxylase complex; first, biotin carboxylase catalyzes the carboxylation of the carrier protein and then the transcarboxylase transfers the carboxyl group to form malonyl-CoA accC None 7.12 49320.3 Escherichia coli (strain K12) GeneCards accC GenBank Gene Database M79446 GenBank Protein Database 145896 UniProtKB P24182 UniProt Accession ACCC_ECOLI ACC Acetyl-CoA carboxylase subunit A >Biotin carboxylase MLDKIVIANRGEIALRILRACKELGIKTVAVHSSADRDLKHVLLADETVCIGPAPSVKSY LNIPAIISAAEITGAVAIHPGYGFLSENANFAEQVERSGFIFIGPKAETIRLMGDKVSAI AAMKKAGVPCVPGSDGPLGDDMDKNRAIAKRIGYPVIIKASGGGGGRGMRVVRGDAELAQ SISMTRAEAKAAFSNDMVYMEKYLENPRHVEIQVLADGQGNAIYLAERDCSMQRRHQKVV EEAPAPGITPELRRYIGERCAKACVDIGYRGAGTFEFLFENGEFYFIEMNTRIQVEHPVT EMITGVDLIKEQLRIAAGQPLSIKQEEVHVRGHAVECRINAEDPNTFLPSPGKITRFHAP GGFGVRWESHIYAGYTVPPYYDSMIGKLICYGENRDVAIARMKNALQELIIDGIKTNVDL QIRIMNDENFQHGGTNIHYLEKKLGLQEK >1350 bp ATGCTGGATAAAATTGTTATTGCCAACCGCGGCGAGATTGCATTGCGTATTCTTCGTGCC TGTAAAGAACTGGGCATCAAGACTGTCGCTGTGCACTCCAGCGCGGATCGCGATCTAAAA CACGTATTACTGGCAGATGAAACGGTCTGTATTGGCCCTGCTCCGTCAGTAAAAAGTTAT CTGAACATCCCGGCAATCATCAGCGCCGCTGAAATCACCGGCGCAGTAGCAATCCATCCG GGTTACGGCTTCCTCTCCGAGAACGCCAACTTTGCCGAGCAGGTTGAACGCTCCGGCTTT ATCTTCATTGGCCCGAAAGCAGAAACCATTCGCCTGATGGGCGACAAAGTATCCGCAATC GCGGCGATGAAAAAAGCGGGCGTCCCTTGCGTACCGGGTTCTGACGGCCCGCTGGGCGAC GATATGGATAAAAACCGTGCCATTGCTAAACGCATTGGTTATCCGGTGATTATCAAAGCC TCCGGCGGCGGCGGCGGTCGCGGTATGCGCGTAGTGCGCGGCGACGCTGAACTGGCACAA TCCATCTCCATGACCCGTGCGGAAGCGAAAGCTGCTTTCAGCAACGATATGGTTTACATG GAGAAATACCTGGAAAATCCTCGCCACGTCGAGATTCAGGTACTGGCTGACGGTCAGGGC AACGCTATCTATCTGGCGGAACGTGACTGCTCCATGCAACGCCGCCACCAGAAAGTGGTC GAAGAAGCGCCAGCACCGGGCATTACCCCGGAACTGCGTCGCTACATCGGCGAACGTTGC GCTAAAGCGTGTGTTGATATCGGCTATCGCGGTGCAGGTACTTTCGAGTTCCTGTTCGAA AACGGCGAGTTCTATTTCATCGAAATGAACACCCGTATTCAGGTAGAACACCCGGTTACA GAAATGATCACCGGCGTTGACCTGATCAAAGAACAGATGCGTATCGCTGCCGGTCAACCG CTGTCGATCAAGCAAGAAGAAGTTCACGTTCGCGGCCATGCGGTGGAATGTCGTATCAAC GCCGAAGATCCGAACACCTTCCTGCCAAGTCCGGGCAAAATCACCCGTTTCCACGCACCT GGCGGTTTTGGCGTACGTTGGGAGTCTCATATCTACGCGGGCTACACCGTACCGCCGTAC TATGACTCAATGATCGGTAAGCTGATTTGCTACGGTGAAAACCGTGACGTGGCGATTGCC CGCATGAAGAATGCGCTGCAGGAGCTGATCATCGACGGTATCAAAACCAACGTTGATCTG CAGATCCGCATCATGAATGACGAGAACTTCCAGCATGGTGGCACTAACATCCACTATCTG GAGAAAAAACTCGGTCTTCAGGAAAAATAA PF02785 Biotin_carb_C PF00289 CPSase_L_chain PF02786 CPSase_L_D2 function ATP binding function ligase activity function biotin binding function binding function catalytic activity function nucleotide binding function purine nucleotide binding function adenyl nucleotide binding function vitamin binding process physiological process process metabolism "

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