Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB08520"
| Predicate | Value (sorted: none) |
|---|---|
| rdf:type | |
| rdfs:label |
"(21S)-1AZA-4,4-DIMETHYL-6,19-DIOXA-2,3,7,20-TETRAOXOBICYCLO[19.4.0] PENTACOSANE"
|
| ns1:description |
"
experimental
This compound belongs to the macrolide lactams. These are cyclic polyketides containing both a cyclic amide and a cyclic ester group.
Macrolide Lactams
Organic Compounds
Phenylpropanoids and Polyketides
Macrolide Lactams
Alpha Amino Acid Esters
Macrolides and Analogues
Macrolactams
Piperidines
Hydropyridines
Tertiary Carboxylic Acid Amides
Tertiary Amines
Carboxylic Acid Esters
Ketones
Polyamines
Carboxylic Acids
hydropyridine
piperidine
tertiary carboxylic acid amide
carboxamide group
ketone
tertiary amine
carboxylic acid ester
polyamine
carboxylic acid derivative
carboxylic acid
organonitrogen compound
amine
carbonyl group
logP
3.86
ALOGPS
logS
-5.4
ALOGPS
Water Solubility
1.57e-03 g/l
ALOGPS
logP
5.14
ChemAxon
IUPAC Name
(24aS)-17,17-dimethyl-docosahydropyrido[2,1-c]1,9-dioxa-4-azacyclohenicosane-1,14,18,19-tetrone
ChemAxon
Traditional IUPAC Name
(24aS)-17,17-dimethyl-hexadecahydro-3H-pyrido[2,1-c]1,9-dioxa-4-azacyclohenicosane-1,14,18,19-tetrone
ChemAxon
Molecular Weight
437.5696
ChemAxon
Monoisotopic Weight
437.277737985
ChemAxon
SMILES
[H][C@@]12CCCCN1C(=O)C(=O)C(C)(C)COC(=O)CCCCCCCCCCCOC2=O
ChemAxon
Molecular Formula
C24H39NO6
ChemAxon
InChI
InChI=1S/C24H39NO6/c1-24(2)18-31-20(26)15-10-8-6-4-3-5-7-9-13-17-30-23(29)19-14-11-12-16-25(19)22(28)21(24)27/h19H,3-18H2,1-2H3/t19-/m0/s1
ChemAxon
InChIKey
InChIKey=VUCSBBBCFXBFFY-IBGZPJMESA-N
ChemAxon
Polar Surface Area (PSA)
89.98
ChemAxon
Refractivity
116.68
ChemAxon
Polarizability
48.74
ChemAxon
Rotatable Bond Count
0
ChemAxon
H Bond Acceptor Count
4
ChemAxon
H Bond Donor Count
0
ChemAxon
pKa (strongest basic)
-2.6
ChemAxon
Physiological Charge
0
ChemAxon
Number of Rings
2
ChemAxon
Bioavailability
1
ChemAxon
Ghose Filter
true
ChemAxon
PubChem Compound
445646
PubChem Substance
99444991
PDB
SB1
BE0000695
Peptidyl-prolyl cis-trans isomerase FKBP1A
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
Peptidyl-prolyl cis-trans isomerase FKBP1A
Posttranslational modification, protein turnover, chaperones
May play a role in modulation of ryanodine receptor isoform-1 (RYR-1), a component of the calcium release channel of skeletal muscle sarcoplasmic reticulum. There are four molecules of FKBP12 per skeletal muscle RYR. PPIases accelerate the folding of proteins. It catalyzes the cis-trans isomerization of proline imidic peptide bonds in oligopeptides
FKBP1A
20p13
Cytoplasm
None
8.48
11820.0
Human
HUGO Gene Nomenclature Committee (HGNC)
HGNC:3711
GenAtlas
FKBP1A
GeneCards
FKBP1A
GenBank Gene Database
M34539
GenBank Protein Database
182628
UniProtKB
P62942
UniProt Accession
FKB1A_HUMAN
12 kDa FKBP
EC 5.2.1.8
FKBP-12
Immunophilin FKBP12
Peptidyl-prolyl cis-trans isomerase
PPIase
Rotamase
>FK506-binding protein 1A
GVQVETISPGDGRTFPKRGQTCVVHYTGMLEDGKKFDSSRDRNKPFKFMLGKQEVIRGWE
EGVAQMSVGQRAKLTISPDYAYGATGHPGIIPPHATLVFDVELLKLE
>327 bp
ATGGGAGTGCAGGTGGAAACCATCTCCCCAGGAGACGGGCGCACCTTCCCCAAGCGCGGC
CAGACCTGCGTGGTGCACTACACCGGGATGCTTGAAGATGGAAAGAAATTTGATTCCTCC
CGGGACAGAAACAAGCCCTTTAAGTTTATGCTAGGCAAGCAGGAGGTGATCCGAGGCTGG
GAAGAAGGGGTTGCCCAGATGAGTGTGGGTCAGAGAGCCAAACTGACTATATCTCCAGAT
TATGCCTATGGTGCCACTGGGCACCCAGGCATCATCCCACCACATGCCACTCTCGTCTTC
GATGTGGAGCTTCTAAAACTGGAATGA
PF00254
FKBP_C
process
protein folding
process
physiological process
process
metabolism
process
macromolecule metabolism
process
protein metabolism
process
cellular protein metabolism
"
|
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines/drugbank_small.nt
The resource does not appear as an object