Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB06982"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"(2S)-8-[(tert-butoxycarbonyl)amino]-2-(1H-indol-3-yl)octanoic acid"
|
| rdf:type | |
| ns1:description |
"
experimental
This compound belongs to the indole-3-acetic acid derivatives. These are compounds containing an acetic acid (or a derivative) linked to the C3 carbon atom of an indole.
Indole-3-acetic Acid Derivatives
Organic Compounds
Heterocyclic Compounds
Indoles and Derivatives
Indolyl Carboxylic Acids and Derivatives
Indoles
Branched Fatty Acids
Amino Fatty Acids
Heterocyclic Fatty Acids
Substituted Pyrroles
Benzene and Substituted Derivatives
Dicarboxylic Acids and Derivatives
Carbamic Acids and Derivatives
Ethers
Polyamines
Carboxylic Acids
Enolates
indole
dicarboxylic acid derivative
substituted pyrrole
benzene
pyrrole
carbamic acid derivative
polyamine
enolate
ether
carboxylic acid derivative
carboxylic acid
amine
organonitrogen compound
logP
4.29
ALOGPS
logS
-5.1
ALOGPS
Water Solubility
3.03e-03 g/l
ALOGPS
logP
4.42
ChemAxon
IUPAC Name
(2S)-8-{[(tert-butoxy)carbonyl]amino}-2-(1H-indol-3-yl)octanoic acid
ChemAxon
Traditional IUPAC Name
(2S)-8-[(tert-butoxycarbonyl)amino]-2-(1H-indol-3-yl)octanoic acid
ChemAxon
Molecular Weight
374.4739
ChemAxon
Monoisotopic Weight
374.220557458
ChemAxon
SMILES
[H][C@@](CCCCCCNC(=O)OC(C)(C)C)(C(O)=O)C1=CNC2=C1C=CC=C2
ChemAxon
Molecular Formula
C21H30N2O4
ChemAxon
InChI
InChI=1S/C21H30N2O4/c1-21(2,3)27-20(26)22-13-9-5-4-6-11-16(19(24)25)17-14-23-18-12-8-7-10-15(17)18/h7-8,10,12,14,16,23H,4-6,9,11,13H2,1-3H3,(H,22,26)(H,24,25)/t16-/m0/s1
ChemAxon
InChIKey
InChIKey=AWVCKFLATUTBCX-INIZCTEOSA-N
ChemAxon
Polar Surface Area (PSA)
91.42
ChemAxon
Refractivity
104.49
ChemAxon
Polarizability
42.48
ChemAxon
Rotatable Bond Count
11
ChemAxon
H Bond Acceptor Count
3
ChemAxon
H Bond Donor Count
3
ChemAxon
pKa (strongest acidic)
4.76
ChemAxon
Physiological Charge
-1
ChemAxon
Number of Rings
2
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
Ghose Filter
true
ChemAxon
PubChem Compound
24768548
PubChem Substance
99443453
PDB
2S8
BE0003767
S-phase kinase-associated protein 1
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
S-phase kinase-associated protein 1
Involved in protein binding
Essential component of the SCF (SKP1-CUL1-F-box protein) ubiquitin ligase complex, which mediates the ubiquitination of proteins involved in cell cycle progression, signal transduction and transcription. In the SCF complex, serves as an adapter that links the F-box protein to CUL1
SKP1
5q31
None
4.15
18657.9
Human
HUGO Gene Nomenclature Committee (HGNC)
GNC:10899
GeneCards
SKP1
GenBank Gene Database
U33760
GenBank Protein Database
995824
UniProtKB
P63208
UniProt Accession
SKP1_HUMAN
Cyclin A/CDK2-associated protein p19
OCP-2
OCP-II
Organ of Corti protein 2
p19A
p19skp1
RNA polymerase II elongation factor-like protein
SIII
Transcription elongation factor B
>S-phase kinase-associated protein 1
MPSIKLQSSDGEIFEVDVEIAKQSVTIKTMLEDLGMDDEGDDDPVPLPNVNAAILKKVIQ
WCTHHKDDPPPPEDDENKEKRTDDIPVWDQEFLKVDQGTLFELILAANYLDIKGLLDVTC
KTVANMIKGKTPEEIRKTFNIKNDFTEEEEAQVRKENQWCEEK
>492 bp
ATGCCTTCAATTAAGTTGCAGAGTTCTGATGGAGAGATATTTGAAGTTGATGTGGAAATT
GCCAAACAATCTGTAACTATTAAGACCATGTTGGAAGATTTGGGAATGGATGATGAAGGA
GATGATGACCCAGTTCCTCTACCAAATGTGAATGCAGCAATATTAAAAAAGGTCATTCAG
TGGTGCACCCACCACAAGGATGACCCTCCTCCTCCTGAAGATGATGAGAACAAAGAAAAG
CGGACAGATGATATCCCTGTTTGGGACCAAGAATTCCTGAAAGTTGACCAAGGAACACTT
TTTGAACTCATTCTGGCTGCAAACTACTTAGACATCAAAGGTTTGCTTGATGTTACATGC
AAGACTGTTGCCAATATGATCAAGGGGAAAACTCCTGAGGAGATTCGCAAGACCTTCAAT
ATCAAAAATGACTTTACTGAAGAGGAGGAAGCCCAGGTACGCAAAGAGAACCAGTGGTGT
GAAGAGAAGTGA
PF01466
Skp1
PF03931
Skp1_POZ
"
|
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines/drugbank_small.nt
The resource does not appear as an object