Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB02987"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"Cysteine-S-Acetamide"
|
| rdf:type | |
| drugbank:description |
"
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
Primary Carboxylic Acid Amides
Thioethers
Enolates
Carboxylic Acids
Polyamines
Monoalkylamines
carboxamide group
primary carboxylic acid amide
polyamine
enolate
thioether
carboxylic acid
amine
primary amine
primary aliphatic amine
organonitrogen compound
logP
-3
ALOGPS
logS
-0.92
ALOGPS
Water Solubility
2.15e+01 g/l
ALOGPS
logP
-4
ChemAxon
IUPAC Name
(2R)-2-amino-3-[(carbamoylmethyl)sulfanyl]propanoic acid
ChemAxon
Traditional IUPAC Name
cysteine-S-acetamide
ChemAxon
Molecular Weight
178.21
ChemAxon
Monoisotopic Weight
178.041212886
ChemAxon
SMILES
N[C@@H](CSCC(N)=O)C(O)=O
ChemAxon
Molecular Formula
C5H10N2O3S
ChemAxon
InChI
InChI=1S/C5H10N2O3S/c6-3(5(9)10)1-11-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1
ChemAxon
InChIKey
InChIKey=VFKYKPOTSJWPIU-VKHMYHEASA-N
ChemAxon
Polar Surface Area (PSA)
106.41
ChemAxon
Refractivity
40.93
ChemAxon
Polarizability
17.1
ChemAxon
Rotatable Bond Count
5
ChemAxon
H Bond Acceptor Count
4
ChemAxon
H Bond Donor Count
3
ChemAxon
pKa (strongest acidic)
2.07
ChemAxon
pKa (strongest basic)
8.83
ChemAxon
Physiological Charge
0
ChemAxon
Number of Rings
0
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
PubChem Compound
17754220
PubChem Substance
46509176
PDB
YCM
BE0004585
2'-5'-oligoadenylate synthase 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
2'-5'-oligoadenylate synthase 1
OAS1
Human
UniProtKB
P00973
UniProt Accession
OAS1_HUMAN
BE0003317
Ribonuclease pancreatic
Human
# 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
# 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
Ribonuclease pancreatic
Involved in nucleic acid binding
Endonuclease that catalyzes the cleavage of RNA on the 3' side of pyrimidine nucleotides. Acts on single stranded and double stranded RNA
RNASE1
14q11.2
Secreted protein
None
8.94
17644.0
Human
HUGO Gene Nomenclature Committee (HGNC)
HGNC:10044
GenAtlas
RNASE1
GenBank Gene Database
D26129
UniProtKB
P07998
UniProt Accession
RNAS1_HUMAN
EC 3.1.27.5
HP-RNase
RIB-1
Ribonuclease pancreatic precursor
RNase 1
RNase A
RNase UpI-1
>Ribonuclease pancreatic
MALEKSLVRLLLLVLILLVLGWVQPSLGKESRAKKFQRQHMDSDSSPSSSSTYCNQMMRR
RNMTQGRCKPVNTFVHEPLVDVQNVCFQEKVTCKNGQGNCYKSNSSMHITDCRLTNGSRY
PNCAYRTSPKERHIIVACEGSPYVPVHFDASVEDST
>471 bp
ATGGCTCTGGAGAAGTCTCTTGTCCGGCTCCTTCTGCTTGTCCTGATACTGCTGGTGCTG
GGCTGGGTCCAGCCTTCCCTGGGCAAGGAATCCCGGGCCAAGAAATTCCAGCGGCAGCAT
ATGGACTCAGACAGTTCCCCCAGCAGCAGCTCCACCTACTGTAACCAAATGATGAGGCGC
CGGAATATGACACAGGGGCGGTGCAAACCAGTGAACACCTTTGTGCACGAGCCCCTGGTA
GATGTCCAGAATGTCTGTTTCCAGGAAAAGGTCACCTGCAAGAACGGGCAGGGCAACTGC
TACAAGAGCAACTCCAGCATGCACATCACAGACTGCCGCCTGACAAACGGCTCCAGGTAC
CCCAACTGTGCATACCGGACCAGCCCGAAGGAGAGACACATCATTGTGGCCTGTGAAGGG
AGCCCATATGTGCCAGTCCACTTTGATGCTTCTGTGGAGGACTCTACCTAA
PF00074
RnaseA
function
hydrolase activity
function
nucleic acid binding
function
hydrolase activity, acting on ester bonds
function
nuclease activity
function
endonuclease activity
function
endoribonuclease activity
function
endoribonuclease activity, producing 3'-phosphomonoesters
function
pancreatic ribonuclease activity
function
binding
function
catalytic activity
"
|
| owl:sameAs |
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines3/drugbank_small.nt
The resource does not appear as an object