Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB04249"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"Zinc Substituted Heme C"
|
| rdf:type | |
| drugbank:description |
"
experimental
This compound belongs to the metallotetrapyrroles. These are polycyclic compounds containing a tetrapyrrole skeleton combined with a metal atom.
Metallotetrapyrroles
Organic Compounds
Heterocyclic Compounds
Tetrapyrroles and Derivatives
Metallotetrapyrroles
Substituted Pyrroles
Dicarboxylic Acids and Derivatives
Polyols
Metalloheterocyclic Compounds
Enolates
Polyamines
Carboxylic Acids
substituted pyrrole
dicarboxylic acid derivative
pyrrole
polyol
carboxylic acid derivative
polyamine
enolate
carboxylic acid
organonitrogen compound
logP
4.26
ALOGPS
logS
-2.8
ALOGPS
Water Solubility
1.08e+00 g/l
ALOGPS
logP
-0.12
ChemAxon
IUPAC Name
3-[(1S,10Z,15Z)-20-(2-carboxyethyl)-10,15-diethylidene-5,9,14,19-tetramethyl-2,22,23,25-tetraaza-1-zincaoctacyclo[11.9.1.1^{1,8}.1^{3,21}.0^{2,6}.0^{16,23}.0^{18,22}.0^{11,25}]pentacosa-3(24),4,6,8,11,13,16,18,20-nonaen-4-yl]propanoic acid
ChemAxon
Traditional IUPAC Name
zinc substituted heme C
ChemAxon
Molecular Weight
628.067
ChemAxon
Monoisotopic Weight
626.187152174
ChemAxon
SMILES
C\C=C1\C(C)=C2C=C3N4C(=CC5=C(CCC(O)=O)C(C)=C6C=C7N8C(C=C1N2[Zn@]48N56)=C(C)\C7=C\C)C(CCC(O)=O)=C3C
ChemAxon
Molecular Formula
C34H34N4O4Zn
ChemAxon
InChI
InChI=1S/C34H34N4O4.Zn/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7-,22-8-,26-13-,29-14-,30-15-,31-16-;
ChemAxon
InChIKey
InChIKey=OSHBEULYPOLYCE-STIJKOADSA-N
ChemAxon
Polar Surface Area (PSA)
89.25
ChemAxon
Refractivity
174.1
ChemAxon
Polarizability
69.97
ChemAxon
Rotatable Bond Count
6
ChemAxon
H Bond Acceptor Count
7
ChemAxon
H Bond Donor Count
2
ChemAxon
pKa (strongest acidic)
3.15
ChemAxon
pKa (strongest basic)
9.11
ChemAxon
Physiological Charge
-1
ChemAxon
Number of Rings
8
ChemAxon
Bioavailability
1
ChemAxon
MDDR-Like Rule
true
ChemAxon
PubChem Compound
46936932
PubChem Substance
46508051
PDB
HES
BE0001009
Cytochrome c
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
Cytochrome c
Energy production and conversion
Plays a role in apoptosis. Suppression of the anti- apoptotic members or activation of the pro-apoptotic members of the Bcl-2 family leads to altered mitochondrial membrane permeability resulting in release of cytochrome c into the cytosol. Binding of cytochrome c to Apaf-1 triggers the activation of caspase-9, which then accelerates apoptosis by activating other caspases
CYCS
7p15.2
Mitochondrion; mitochondrial matrix
None
10.16
11749.0
Human
HUGO Gene Nomenclature Committee (HGNC)
HGNC:19986
GenAtlas
CYCS
GeneCards
CYCS
GenBank Gene Database
M22877
GenBank Protein Database
181242
UniProtKB
P99999
UniProt Accession
CYC_HUMAN
>Cytochrome c
MGDVEKGKKIFIMKCSQCHTVEKGGKHKTGPNLHGLFGRKTGQAPGYSYTAANKNKGIIW
GEDTLMEYLENPKKYIPGTKMIFVGIKKKEERADLIAYLKKATNE
>318 bp
ATGGGTGATGTTGAGAAAGGCAAGAAGATTTTTATTATGAAGTGTTCCCAGTGCCACACC
GTTGAAAAGGGAGGCAAGCACAAGACTGGGCCAAATCTCCATGGTCTCTTTGGGCGGAAG
ACAGGTCAGGCCCCTGGATACTCTTACACAGCCGCCAATAAGAACAAAGGCATCATCTGG
GGAGAGGATACACTGATGGAGTATTTGGAGAATCCCAAGAAGTACATCCCTGGAACAAAA
ATGATCTTTGTCGGCATTAAGAAGAAGGAAGAAAGGGCAGACTTAATAGCTTATCTCAAA
AAAGCTACTAATGAGTAA
PF00034
Cytochrom_C
function
transporter activity
function
electron transporter activity
function
tetrapyrrole binding
function
heme binding
function
binding
process
metabolism
process
cellular metabolism
process
generation of precursor metabolites and energy
process
electron transport
process
physiological process
"
|
| 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