Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB01773"
| Predicate | Value (sorted: none) |
|---|---|
| rdf:type | |
| rdfs:label |
"4-[3-Carboxymethyl-3-(4-Phosphonooxy-Benzyl)-Ureido]-4-[(3-Cyclohexyl-Propyl)-Methyl-Carbamoyl]Butyric Acid"
|
| owl:sameAs | |
| drugbank:description |
"
experimental
This compound belongs to the n-carbamoyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an carbamoyl group at his terminal nitrogen atom.
N-carbamoyl-alpha Amino Acids and Derivatives
Organic Compounds
Organic Acids and Derivatives
Carboxylic Acids and Derivatives
Amino Acids, Peptides, and Analogues
Alpha Amino Acid Amides
Organic Phosphoric Acids
Dicarboxylic Acids and Derivatives
Organophosphate Esters
Benzene and Substituted Derivatives
Tertiary Carboxylic Acid Amides
Polyols
Tertiary Amines
Carboxylic Acids
Polyamines
Enolates
organic phosphate
dicarboxylic acid derivative
phosphoric acid ester
benzene
tertiary carboxylic acid amide
polyol
tertiary amine
carboxamide group
carboxylic acid
polyamine
enolate
amine
organonitrogen compound
logP
1.86
ALOGPS
logS
-5.2
ALOGPS
Water Solubility
3.21e-03 g/l
ALOGPS
logP
1.81
ChemAxon
IUPAC Name
(4R)-4-{[(carboxymethyl)({[4-(phosphonooxy)phenyl]methyl})carbamoyl]amino}-4-[(3-cyclohexylpropyl)(methyl)carbamoyl]butanoic acid
ChemAxon
Traditional IUPAC Name
(4R)-4-{[carboxymethyl({[4-(phosphonooxy)phenyl]methyl})carbamoyl]amino}-4-[(3-cyclohexylpropyl)(methyl)carbamoyl]butanoic acid
ChemAxon
Molecular Weight
571.5571
ChemAxon
Monoisotopic Weight
571.229480963
ChemAxon
SMILES
CN(CCCC1CCCCC1)C(=O)[C@@H](CCC(O)=O)NC(=O)N(CC(O)=O)CC1=CC=C(OP(O)(O)=O)C=C1
ChemAxon
Molecular Formula
C25H38N3O10P
ChemAxon
InChI
InChI=1S/C25H38N3O10P/c1-27(15-5-8-18-6-3-2-4-7-18)24(33)21(13-14-22(29)30)26-25(34)28(17-23(31)32)16-19-9-11-20(12-10-19)38-39(35,36)37/h9-12,18,21H,2-8,13-17H2,1H3,(H,26,34)(H,29,30)(H,31,32)(H2,35,36,37)/t21-/m1/s1
ChemAxon
InChIKey
InChIKey=JSBQUMXQEBZYPW-OAQYLSRUSA-N
ChemAxon
Polar Surface Area (PSA)
194.01
ChemAxon
Refractivity
139.39
ChemAxon
Polarizability
56.77
ChemAxon
Rotatable Bond Count
15
ChemAxon
H Bond Acceptor Count
9
ChemAxon
H Bond Donor Count
5
ChemAxon
pKa (strongest acidic)
1.78
ChemAxon
pKa (strongest basic)
-2.5
ChemAxon
Physiological Charge
-4
ChemAxon
Number of Rings
2
ChemAxon
Bioavailability
0
ChemAxon
PubChem Compound
46936211
PubChem Substance
46504571
ChemSpider
2638077
PDB
UR2
BE0001401
Tyrosine-protein kinase transforming protein Src
RSV-SR-E
# Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. "Pubmed":http://www.ncbi.nlm.nih.gov/pubmed/17139284
# Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. "Pubmed":http://www.ncbi.nlm.nih.gov/pubmed/17016423
unknown
Tyrosine-protein kinase transforming protein Src
Involved in protein kinase activity
This phosphoprotein, required for both the initiation and the maintenance of neoplastic transformation, is a protein kinase that catalyzes the phosphorylation of tyrosine residues in vitro
V-SRC
None
8.43
58954.0
RSV-SR-E
GenBank Gene Database
X13745
GenBank Protein Database
61909
UniProtKB
P63185
UniProt Accession
SRC_RSVSE
EC 2.7.10.2
p60- Src
pp60v-src
v-Src
>Tyrosine-protein kinase transforming protein Src
MGSSKSKPKGPSQRRRSLEPPDSTHHGGFPASQTPNKTAAPDTHRTPSRSFGTVATEPKL
FGDFNTSDTVTSPQRAGALAGGVTTFVALYDYESWIETDLSFKKGERLQIVNNTEGNWWL
AHSVTTGQTGYIPSNYVAPSDSIQAEEWYFGKITRRESERLLLNPENPRGTFLVRESETT
KGAYCLSVSDFDNAKGLNVKHYKIRKLDSGGFYITSRTQFSSLQQLVAYYSKHADGLCHR
LTNVCPTSKPQTQGLAKDAWEIPRESLRLEVKLGQGCFGEVWMGTWNGTTRVAIKTLKPG
TMSPEAFLQEAQVMKKLRHKKLVQLYAVVSEEPIYIVIEYMSKGSLLDFLKGEMGKYLRL
PQLVDMAAQIASGMAYVERMNYVHRDLRAANILVGENLVCKVADFGLARLIEDNEYTARQ
GAKFPIKWTAPEAALYGRFTIKSDVWSFGILLTELTTKGRVPYPGMGNGEVLDRVERGYR
MPCPPECPESLHDLMSQCWRRDPEERPTFEYLQAQLLPACVLEVAE
>1581 bp
ATGGGGAGTAGCAAGAGCAAGCCTAAGGGCCCCAGCCAGCGCCGGCGCAGCCTGGAGCCA
CCCGACAGCACCCACCACGGGGGATTCCCAGCCTCGCAGACCCCCAACAAGACAGCAGCC
CCCGACACGCACCGGACCCCCAGCCGCTCCTTCGGGACCGTGGCCACCGAGCCCAAGCTC
TTCGGGGACTTCAACACTTCTGACACCGTTACGTCGCCGCAGCGTGCCGGGGCACTGGCT
GGCGGCGTCACCACTTTCGTGGCTCTCTACGACTACGAGTCCTGGATTGAAACGGACTTG
TCCTTCAAGAAAGGAGAACGCCTGCAGATTGTCAACAACACGGAAGGTAACTGGTGGCTG
GCTCATTCCGTGACTACAGGACAGACGGGCTACATCCCCAGTAACTATGTCGCGCCCTCA
GACTCCATCCAGGCTGAAGAGTGGTACTTTGGGAAGATCACTCGTCGGGAGTCCGAGCGG
CTGCTGCTCAACCCCGAAAACCCCCGGGGAACCTTCTTGGTCCGGGAGAGCGAGACGACA
AAAGGTGCCTATTGCCTCTCCGTTTCTGACTTTGACAACGCCAAGGGGCTCAATGTGAAG
CACTACAAGATCCGCAAGCTGGACAGCGGCGGCTTCTACATCACCTCACGCACACAGTTC
AGCAGCCTGCAGCAGCTGGTGGCCTACTACTCCAAACATGCTGATGGCTTGTGCCACCGC
CTGACCAACGTCTGCCCCACGTCCAAGCCCCAGACCCAGGGACTCGCCAAAGACGCGTGG
GAAATCCCCCGGGAGTCGCTGCGGCTGGAGGTGAAGCTGGGGCAGGGCTGCTTTGGAGAG
GTCTGGATGGGGACCTGGAACGGCACCACCAGAGTGGCCATAAAGACTCTGAAGCCCGGC
ACCATGTCCCCGGAGGCCTTCCTGCAGGAAGCCCAAGTGATGAAGAAGCTCCGGCATAAG
AAGCTGGTTCAACTGTACGCAGTGGTGTCGGAAGAGCCCATCTACATCGTCATTGAGTAC
ATGAGCAAGGGGAGCCTCCTGGATTTCCTGAAGGGAGAGATGGGCAAGTACCTGCGGCTG
CCACAGCTCGTTGATATGGCTGCTCAGATTGCATCCGGCATGGCCTATGTGGAGAGGATG
AACTACGTGCACCGAGACCTGCGGGCGGCCAACATCCTGGTGGGGGAGAACCTGGTGTGC
AAGGTGGCTGACTTTGGGCTGGCACGCCTCATCGAGGACAACGAGTACACAGCACGGCAA
GGTGCCAAGTTCCCCATCAAGTGGACAGCCCCCGAGGCAGCCCTCTATGGCCGGTTCACC
ATCAAGTCGGATGTCTGGTCCTTCGGCATCCTGCTGACTGAGCTGACCACCAAGGGCCGG
GTGCCATACCCAGGGATGGGCAACGGGGAGGTGCTGGACCGGGTGGAGAGGGGCTACCGC
ATGCCCTGCCCGCCCGAGTGCCCCGAGTCGCTGCATGACCTTATGAGCCAGTGTTGGCGG
AGGGACCCTGAGGAGCGGCCCACTTTTGAGTACCTGCAGGCCCAGCTGCTCCCTGCTTGT
GTGTTGGAGGTCGCTGAGTAG
PF07714
Pkinase_Tyr
PF00017
SH2
PF00018
SH3_1
function
catalytic activity
function
protein-tyrosine kinase activity
function
ATP binding
function
transferase activity, transferring phosphorus-containing groups
function
kinase activity
function
nucleotide binding
function
protein kinase activity
function
purine nucleotide binding
function
adenyl nucleotide binding
function
binding
function
transferase activity
process
cellular process
process
cell communication
process
metabolism
process
signal transduction
process
macromolecule metabolism
process
biopolymer metabolism
process
biopolymer modification
process
protein modification
process
intracellular signaling cascade
process
protein amino acid phosphorylation
process
physiological process
"
|
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines3/drugbank_small.nt
The resource does not appear as an object