Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB03817"

Predicate	Value (sorted: none)
drugbank:description	" 1758-80-1 experimental This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof. Alpha Amino Acids and Derivatives Organic Compounds Organic Acids and Derivatives Carboxylic Acids and Derivatives Amino Acids, Peptides, and Analogues Amino Fatty Acids Enolates Polyamines Carboxylic Acids Monoalkylamines carboxylic acid enolate polyamine primary amine amine primary aliphatic amine organonitrogen compound alpha,gamma-Diaminobutyrate L-2,4-Diaminobutanoate L-2,4-Diaminobutyrate logP -3.7 ALOGPS logS 0.36 ALOGPS Water Solubility 2.70e+02 g/l ALOGPS logP -4 ChemAxon IUPAC Name (2S)-2,4-diaminobutanoic acid ChemAxon Traditional IUPAC Name 2,4-diaminobutyric acid ChemAxon Molecular Weight 118.1344 ChemAxon Monoisotopic Weight 118.074227574 ChemAxon SMILES NCC[C@H](N)C(O)=O ChemAxon Molecular Formula C4H10N2O2 ChemAxon InChI InChI=1S/C4H10N2O2/c5-2-1-3(6)4(7)8/h3H,1-2,5-6H2,(H,7,8)/t3-/m0/s1 ChemAxon InChIKey InChIKey=OGNSCSPNOLGXSM-VKHMYHEASA-N ChemAxon Polar Surface Area (PSA) 89.34 ChemAxon Refractivity 28.56 ChemAxon Polarizability 11.89 ChemAxon Rotatable Bond Count 3 ChemAxon H Bond Acceptor Count 4 ChemAxon H Bond Donor Count 3 ChemAxon pKa (strongest acidic) 2.55 ChemAxon pKa (strongest basic) 10.25 ChemAxon Physiological Charge 1 ChemAxon Number of Rings 0 ChemAxon Bioavailability 1 ChemAxon Rule of Five true ChemAxon ChEBI 16028 PubChem Compound 134490 PubChem Substance 46508539 KEGG Compound C03283 PDB DAB BE0002838 Envelope glycoprotein gp160 HIV-1 unknown Envelope glycoprotein gp160 Involved in structural molecule activity Allows rapid transcytosis of the virus through CD4 negative cells such as simple epithelial monolayers of the intestinal, rectal and endocervical epithelial barriers. Both gp120 and gp41 specifically recognize glycosphingolipids galactosyl-ceramide (GalCer) or 3' sulfo-galactosyl-ceramide (GalS) present in the lipid rafts structures of epithelial cells. Binding to these alternative receptors allows the rapid transcytosis of the virus through the epithelial cells. This transcytotic vesicle-mediated transport of virions from the apical side to the basolateral side of the epithelial cells does not involve infection of the cells themselves env TM:Virion 681-701 9.21 97204.0 HIV-1 GenBank Gene Database M21098 UniProtKB P12488 UniProt Accession ENV_HV1BN Env polyprotein Envelope glycoprotein gp160 precursor >Envelope glycoprotein gp160 MRVKGIKKNYQHLWRWGGMMLLGILMICSATDKLWVTVYYGVPVWKEANTTLFCASDAKA YDTEIHNVWATHACVPTDPNPQELVMGNVTENFNMWKNDMVEQMHEDIISLWDQSLKPCV KLTPLCVTLNCHDFNATNATSNSGKMMEGGEMKNCSFNITTSIRDKMQKEYALFYKLDIV PIDNDKTNTRYRLISCNTSVITQACPKVTFEPIPIHYCAPAGFAILKCNNKKFNGTGPCT NVSTVQCTHGIRPVVSTQLLLNGSLAEEEVVIRSENFTNNVKTIIVQLNESVEINCTRPN NNTRKRITMGPGRVYYTTGQIIGDIRRAHCNLSRSKWENTLKQIVTKLRVQFKNKTIVFN RSSGGDPEIVMHSFNCGGEFFFCNTTQLFNSTWYRNTTGNITEGNSPITLPCRIKQIINM WQEVGKAMYAPPIRGQIKCSSNITGLLLTRDGGNNNETTDTEIFRPGGGNMRDNWRSELY KYKVVKIEPLGVAPTKAKRRVVQREKRAVGLGALFLGFLGAAGSTMGAASLTLTVQARLL LSGIVQQQNNLLMAIEAQQHMLELTVWGIKQLQARVLAVERYLKDQQLLGIWGCSGKLIC TTAVPWNASWSNKSLSDIWDNMTWMEWEREIDNYTNLIYSLIEDSQIQQEKNEKELLELD KWASLWNWFNITNWLWYIKIFIMIVGGLIGLRIVFAVLSIVNRVRQGYSPLSFQTRLPGR RGPDRPEGIEEEGGERDRDRSSPLVDGFLALFWVDLRSLFLFSYHRLRDLLLIVTRIVEL LGRRGWEVLKYWWNLLQYWSQELKNSAVSLLNATAIAVGERTDRAIEVVQRAFRAILHIP RRIRQGLERALQ >2559 bp ATGAGAGTGAAGGGGATCAAGAAGAATTATCAGCACTTGTGGAGATGGGGGGGCATGATG CTCCTTGGGATATTGATGATCTGTAGTGCTACAGACAAATTGTGGGTCACAGTCTATTAT GGGGTACCTGTGTGGAAAGAAGCAAACACCACTCTATTTTGTGCATCAGATGCTAAAGCA TATGATACAGAGATACATAATGTCTGGGCCACACATGCCTGTGTACCCACAGACCCCAAC CCACAAGAATTAGTAATGGGAAATGTGACAGAAAATTTTAACATGTGGAAAAATGACATG GTAGAACAGATGCATGAGGATATAATCAGTTTATGGGATCAAAGCCTAAAGCCATGTGTA AAATTAACCCCACTCTGTGTTACTTTAAATTGCCATGATTTCAATGCTACTAATGCCACT AGTAATAGCGGGAAAATGATGGAGGGAGGAGAAATGAAAAACTGCTCTTTCAATATCACC ACAAGCATAAGAGATAAGATGCAGAAAGAATATGCACTTTTTTATAAACTTGATATAGTA CCAATAGATAATGATAAAACTAATACTAGATATAGGTTGATAAGTTGTAATACCTCAGTC ATTACACAGGCCTGTCCAAAGGTAACCTTTGAGCCAATTCCCATACATTATTGTGCCCCG GCTGGTTTTGCGATTCTAAAGTGTAATAATAAGAAGTTCAATGGAACAGGACCATGTACA AATGTCAGCACAGTACAATGTACACATGGAATTAGGCCAGTAGTATCCACTCAATTGCTG TTAAATGGCAGTCTAGCAGAAGAAGAGGTAGTAATTAGATCTGAAAATTTCACGAACAAT GTTAAAACCATAATAGTACAGCTGAATGAATCTGTAGAAATTAATTGTACAAGACCCAAC AACAATACAAGAAAGAGGATAACTATGGGACCAGGGAGAGTATATTATACAACAGGACAA ATAATAGGAGATATAAGACGAGCACATTGTAACCTTAGTAGATCAAAATGGGAGAACACT TTAAAACAGATAGTTACAAAATTAAGAGTACAATTTAAGAATAAAACAATAGTCTTTAAT CGATCCTCAGGAGGGGACCCAGAAATTGTAATGCACAGTTTTAATTGTGGAGGGGAATTT TTCTTCTGTAATACAACACAACTGTTTAATAGTACTTGGTATAGGAACACTACAGGAAAT ATCACTGAAGGAAATAGCCCAATCACACTCCCATGCAGAATAAAACAAATTATAAACATG TGGCAGGAAGTAGGAAAAGCAATGTATGCCCCTCCCATCAGAGGACAAATTAAATGTTCA TCAAATATTACAGGGCTGCTATTAACAAGAGATGGTGGTAATAACAACGAGACCACCGAC ACCGAGATCTTCAGACCTGGAGGAGGAAATATGAGGGACAATTGGAGAAGTGAATTATAT AAATATAAAGTAGTAAAAATTGAACCATTAGGAGTAGCACCCACCAAGGCAAAGAGAAGA GTGGTGCAGAGAGAAAAAAGAGCAGTGGGACTAGGAGCTTTGTTCCTTGGGTTCTTAGGA GCAGCAGGAAGCACTATGGGCGCAGCGTCCCTGACGCTGACGGTACAGGCCAGACTATTA TTGTCTGGTATAGTGCAACAGCAGAACAACTTGCTGATGGCTATTGAGGCGCAACAGCAT ATGTTGGAACTTACAGTCTGGGGCATCAAGCAGCTCCAGGCAAGAGTCCTGGCTGTAGAA AGATACCTAAAGGACCAACAGCTCCTGGGGATTTGGGGTTGCTCTGGAAAACTCATTTGC ACCACTGCTGTGCCTTGGAATGCTAGTTGGAGTAATAAATCTCTGAGTGACATTTGGGAT AACATGACCTGGATGGAGTGGGAAAGAGAAATTGACAATTATACAAACTTAATATACTCC TTAATTGAGGACTCGCAAATCCAACAAGAAAAGAATGAAAAAGAATTATTAGAATTAGAC AAGTGGGCAAGTTTGTGGAATTGGTTCAACATAACAAACTGGCTGTGGTATATAAAAATA TTCATAATGATAGTAGGGGGCTTGATAGGTTTAAGAATAGTTTTTGCTGTACTTTCTATA GTGAATAGAGTTAGGCAGGGATACTCACCATTATCGTTTCAGACCCGCCTCCCAGGCCGG AGGGGACCCGACAGGCCCGAAGGAATCGAAGAAGAAGGTGGAGAGCGAGACAGAGACAGA TCCAGTCCCTTAGTGGATGGATTCTTAGCACTTTTCTGGGTCGATCTGCGGAGCCTGTTC CTCTTCAGCTACCACCGCTTGAGAGACTTACTCTTGATTGTAACGAGGATTGTGGAACTT CTGGGACGCAGGGGGTGGGAAGTCCTCAAATATTGGTGGAATCTCCTACAGTATTGGAGT CAGGAACTAAAGAATAGTGCTGTTAGCTTGCTCAACGCCACAGCCATAGCAGTAGGTGAG AGGACAGATAGGGCTATAGAAGTAGTACAAAGAGCTTTTAGAGCTATCCTGCACATACCT AGAAGAATAAGACAGGGCTTGGAAAGGGCTTTGCAATAA PF00517 GP41 PF00516 GP120 component virion component viral envelope function structural molecule activity "
rdf:type	drugbank:drugs
owl:sameAs	drug:EXPT01102
rdfs:label	"2,4-Diaminobutyric Acid"

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

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