Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB08071"

Predicate	Value (sorted: default)
rdfs:label	"(2S)-1-methyl-2-[(2S,4R)-2-methyl-4-phenylpentyl]piperidine"
rdf:type	drugbank:drugs
drugbank:description	" experimental This compound belongs to the alkaloids and derivatives. These are naturally occurring chemical compounds that contain mostly basic nitrogen atoms. This group also includes some related compounds with neutral and even weakly acidic properties. Also some synthetic compounds of similar structure are attributed to alkaloids. In addition to carbon, hydrogen and nitrogen, alkaloids may also contain oxygen, sulfur and more rarely other elements such as chlorine, bromine, and phosphorus. Alkaloids and Derivatives Organic Compounds Alkaloids and Derivatives Benzene and Substituted Derivatives Piperidines Tertiary Amines Polyamines piperidine benzene tertiary amine polyamine amine organonitrogen compound logP 5.34 ALOGPS logS -5.8 ALOGPS Water Solubility 3.71e-04 g/l ALOGPS logP 5.02 ChemAxon IUPAC Name (2S)-1-methyl-2-[(2S,4R)-2-methyl-4-phenylpentyl]piperidine ChemAxon Traditional IUPAC Name (2S)-1-methyl-2-[(2S,4R)-2-methyl-4-phenylpentyl]piperidine ChemAxon Molecular Weight 259.4296 ChemAxon Monoisotopic Weight 259.229999933 ChemAxon SMILES [H][C@](C)(C[C@@]([H])(C)C1=CC=CC=C1)C[C@]1([H])CCCCN1C ChemAxon Molecular Formula C18H29N ChemAxon InChI InChI=1S/C18H29N/c1-15(14-18-11-7-8-12-19(18)3)13-16(2)17-9-5-4-6-10-17/h4-6,9-10,15-16,18H,7-8,11-14H2,1-3H3/t15-,16+,18-/m0/s1 ChemAxon InChIKey InChIKey=UEEAJOUBQAEABH-JZXOWHBKSA-N ChemAxon Polar Surface Area (PSA) 3.24 ChemAxon Refractivity 84.07 ChemAxon Polarizability 32.42 ChemAxon Rotatable Bond Count 5 ChemAxon H Bond Acceptor Count 1 ChemAxon H Bond Donor Count 0 ChemAxon pKa (strongest basic) 10.02 ChemAxon Physiological Charge 1 ChemAxon Number of Rings 2 ChemAxon Bioavailability 1 ChemAxon Ghose Filter true ChemAxon PubChem Compound 46937121 PubChem Substance 99444542 PDB L18 BE0004153 Probable L-lysine-epsilon aminotransferase Mycobacterium tuberculosis # 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 Probable L-lysine-epsilon aminotransferase Amino acid transport and metabolism L-lysine + 2-oxoglutarate = 2-aminoadipate 6- semialdehyde + L-glutamate lat None 5.84 49011.6 Mycobacterium tuberculosis GeneCards lat GenBank Gene Database BX842582 GenBank Protein Database 2076674 UniProtKB P63509 UniProt Accession LAT_MYCTU L-lysine aminotransferase Lysine 6-aminotransferase >Probable L-lysine-epsilon aminotransferase MAAVVKSVALAGRPTTPDRVHEVLGRSMLVDGLDIVLDLTRSGGSYLVDAITGRRYLDMF TFVASSALGMNPPALVDDREFHAELMQAALNKPSNSDVYSVAMARFVETFARVLGDPALP HLFFVEGGALAVENALKAAFDWKSRHNQAHGIDPALGTQVLHLRGAFHGRSGYTLSLTNT KPTITARFPKFDWPRIDAPYMRPGLDEPAMAALEAEALRQARAAFETRPHDIACFVAEPI QGEGGDRHFRPEFFAAMRELCDEFDALLIFDEVQTGCGLTGTAWAYQQLDVAPDIVAFGK KTQVCGVMAGRRVDEVADNVFAVPSRLNSTWGGNLTDMVRARRILEVIEAEGLFERAVQH GKYLRARLDELAADFPAVVLDPRGRGLMCAFSLPTTADRDELIRQLWQRAVIVLPAGADT VRFRPPLTVSTAEIDAAIAAVRSALPVVT >1371 bp ATGCGTCCCTATTACATCGCCATCGTGGGCTCCGGGCCGTCGGCGTTCTTCGCCGCGGCA TCCTTGCTGAAGGCCGCCGACACGACCGAGGACCTCGACATGGCCGTCGACATGCTGGAG ATGTTGCCGACTCCCTGGGGGCTGGTGCGCTCCGGGGTCGCGCCGGATCACCCCAAGATC AAGTCGATCAGCAAGCAATTCGAAAAGACGGCCGAGGACCCCCGCTTCCGCTTCTTCGGC AATGTGGTCGTCGGCGAACACGTCCAGCCCGGCGAGCTCTCCGAGCGCTACGACGCCGTG ATCTACGCCGTCGGCGCGCAGTCCGATCGCATGTTGAACATCCCCGGTGAGGACCTGCCG GGCAGTATCGCCGCCGTCGATTTCGTCGGCTGGTACAACGCACATCCACACTTCGAGCAG GTATCACCCGATCTGTCGGGCGCCCGGGCCGTAGTTATCGGCAATGGAAACGTCGCGCTA GACGTGGCACGGATTCTGCTCACCGATCCCGACGTGTTGGCACGCACCGATATCGCCGAT CACGCTTTGGAATCGCTACGCCCACGCGGTATCCAGGAGGTGGTGATCGTCGGGCGCCGA GGTCCGCTGCAGGCCGCGTTCACCACGTTGGAGTTGCGCGAGCTGGCCGACCTCGACGGG GTTGACGTGGTGATCGATCCGGCGGAGCTGGACGGCATTACCGACGAGGACGCGGCCGCG GTGGGCAAGGTCTGCAAGCAGAACATCAAGGTGCTGCGTGGCTATGCGGACCGCGAACCC CGCCCGGGACACCGCCGCATGGTGTTCCGGTTCTTGACCTCTCCGATCGAGATCAAGGGC AAGCGCAAAGTGGAGCGGATCGTGCTGGGCCGCAACGAGCTGGTCTCCGACGGCAGCGGG CGAGTGGCGGCCAAGGACACCGGCGAGCGCGAGGAGCTGCCAGCTCAGCTGGTCGTGCGG TCGGTCGGCTACCGCGGGGTGCCCACGCCCGGGCTGCCGTTCGACGACCAGAGCGGGACC ATCCCCAACGTCGGCGGCCGAATCAACGGCAGCCCCAACGAATACGTCGTCGGGTGGATC AAGCGCGGGCCGACCGGGGTGATCGGGACCAACAAGAAGGACGCCCAAGACACCGTCGAC ACCTTGATCAAGAATCTTGGCAACGCCAAGGAGGGCGCCGAGTGCAAGAGCTTTCCGGAA GATCATGCCGACCAGGTGGCCGACTGGCTAGCAGCACGCCAGCCGAAGCTGGTCACGTCG GCCCACTGGCAGGTGATCGACGCTTTCGAGCGGGCCGCCGGCGAGCCGCACGGGCGTCCC CGGGTCAAGTTGGCCAGCCTGGCCGAGCTGTTGCGGATTGGGCTCGGCTGA PF00202 Aminotran_3 function catalytic activity function vitamin binding function pyridoxal phosphate binding function transferase activity function transferase activity, transferring nitrogenous groups function transaminase activity function binding "

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

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