Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB07909"

Predicate	Value (sorted: default)
rdfs:label	"(1S,2S,5S)2-(4-GLUTARIDYLBENZYL)-5-PHENYL-1-CYCLOHEXANOL"
rdf:type	drugbank:drugs
drugbank:description	" experimental This compound belongs to the gamma amino acids and derivatives. These are amino acids having a (-NH2) group attached to the gamma carbon atom. Gamma Amino Acids and Derivatives Organic Compounds Organic Acids and Derivatives Carboxylic Acids and Derivatives Amino Acids, Peptides, and Analogues Benzamides Benzoyl Derivatives Cyclohexanols Secondary Carboxylic Acid Amides Cyclic Alcohols and Derivatives Carboxylic Acids Polyamines Enolates benzamide benzoyl cyclohexanol benzene cyclic alcohol carboxamide group secondary carboxylic acid amide secondary alcohol enolate polyamine carboxylic acid amine organonitrogen compound alcohol logP 3.3 ALOGPS logS -5.1 ALOGPS Water Solubility 2.98e-03 g/l ALOGPS logP 3.28 ChemAxon IUPAC Name 4-({4-[(1R,2S,4S)-2-hydroxy-4-phenylcyclohexyl]phenyl}formamido)butanoic acid ChemAxon Traditional IUPAC Name 4-({4-[(1R,2S,4S)-2-hydroxy-4-phenylcyclohexyl]phenyl}formamido)butanoic acid ChemAxon Molecular Weight 381.4648 ChemAxon Monoisotopic Weight 381.194008357 ChemAxon SMILES [H][C@]1(O)C[C@]([H])(CC[C@]1([H])C1=CC=C(C=C1)C(=O)NCCCC(O)=O)C1=CC=CC=C1 ChemAxon Molecular Formula C23H27NO4 ChemAxon InChI InChI=1S/C23H27NO4/c25-21-15-19(16-5-2-1-3-6-16)12-13-20(21)17-8-10-18(11-9-17)23(28)24-14-4-7-22(26)27/h1-3,5-6,8-11,19-21,25H,4,7,12-15H2,(H,24,28)(H,26,27)/t19-,20+,21-/m0/s1 ChemAxon InChIKey InChIKey=OBWILOKKNDYPLX-HBMCJLEFSA-N ChemAxon Polar Surface Area (PSA) 86.63 ChemAxon Refractivity 108 ChemAxon Polarizability 43.82 ChemAxon Rotatable Bond Count 7 ChemAxon H Bond Acceptor Count 4 ChemAxon H Bond Donor Count 3 ChemAxon pKa (strongest acidic) 4.14 ChemAxon pKa (strongest basic) -0.49 ChemAxon Physiological Charge -1 ChemAxon Number of Rings 3 ChemAxon Bioavailability 1 ChemAxon Rule of Five true ChemAxon Ghose Filter true ChemAxon MDDR-Like Rule true ChemAxon ChEBI 43278 PubChem Compound 444394 PubChem Substance 99444380 ChemSpider 392337 PDB HOP BE0004119 Uncharacterized protein Human # 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 Uncharacterized protein Involved in protein binding None 7.7 25701.7 Human HUGO Gene Nomenclature Committee (HGNC) GNC:5732 GenBank Gene Database BC005332 GenBank Protein Database 13529116 UniProtKB Q7Z3Y4 UniProt Accession Q7Z3Y4_HUMAN >Putative uncharacterized protein MDMRVLAQLLGLLLLCFPGARCDIQMTQSPSSLSASVGDTVTITCRASQDISNYLAWFQQ KPGKAPKSLIYGASSLQSGVQSKFSGSGSGTDFTLTISSLQPEDFATYYCQQYKSYPVTF GQGTKLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGN SQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC >711 bp ATGGACATGAGAGTCCTCGCTCAGCTCCTGGGGCTCCTGCTGCTCTGTTTCCCAGGTGCC AGATGTGACATCCAGATGACCCAGTCTCCATCCTCACTGTCTGCATCTGTCGGAGACACA GTCACCATCACTTGTCGGGCGAGTCAGGACATTAGCAATTATTTAGCCTGGTTTCAGCAG AAACCAGGGAAAGCCCCTAAGTCCCTGATCTATGGTGCATCCAGTTTGCAAAGTGGGGTC CAATCAAAGTTCAGCGGCAGTGGATCTGGGACAGATTTCACTCTCACCATCAGCAGCCTG CAGCCTGAAGATTTTGCAACTTATTACTGCCAACAGTATAAAAGTTATCCTGTCACTTTT GGCCAGGGGACCAAGCTGGAGATCAAACGAACTGTGGCTGCACCATCTGTCTTCATCTTC CCGCCATCTGATGAGCAGTTGAAATCTGGAACTGCCTCTGTTGTGTGCCTGCTGAATAAC TTCTATCCCAGAGAGGCCAAAGTACAGTGGAAGGTGGATAACGCCCTCCAATCGGGTAAC TCCCAGGAGAGTGTCACAGAGCAGGACAGCAAGGACAGCACCTACAGCCTCAGCAGCACC CTGACGCTGAGCAAAGCAGACTACGAGAAACACAAAGTCTACGCCTGCGAAGTCACCCAT CAGGGCCTGAGCTCGCCCGTCACAAAGAGCTTCAACAGGGGAGAGTGTTAG PF07686 V-set PF07654 C1-set BE0002815 Ig gamma-1 chain C region Human # 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 Ig gamma-1 chain C region IGHG1 14q32.33 None 8.31 36106.0 Human HUGO Gene Nomenclature Committee (HGNC) HGNC:5525 GenAtlas IGHG1 UniProtKB P01857 UniProt Accession IGHG1_HUMAN >Ig gamma-1 chain C region ASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSS GLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCDKTHTCPPCPAPELLGG PSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYN STYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSRDE LTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRW QQGNVFSCSVMHEALHNHYTQKSLSLSPGK PF07654 C1-set BE0003836 Ig kappa chain C region Human # 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 Ig kappa chain C region Involved in antigen binding IGKC 2p12 None 5.68 11608.8 Human HUGO Gene Nomenclature Committee (HGNC) GNC:5716 GeneCards IGKC GenBank Gene Database J00241 GenBank Protein Database 185945 UniProtKB P01834 UniProt Accession IGKC_HUMAN >Ig kappa chain C region TVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDS KDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC PF07654 C1-set "

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

The resource does not appear as an object

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