Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB01630"
| Predicate | Value (sorted: none) |
|---|---|
| drugbank:description |
"
experimental
This compound belongs to the n-phenylbenzamides.
N-phenylbenzamides
Organic Compounds
Benzenoids
Benzene and Substituted Derivatives
Benzamides
Alpha Amino Acid Amides
Aminobenzenesulfonamides
Anilides
Benzoyl Derivatives
Morpholines
Sulfonyls
Sulfonamides
Hydroxamic Acids
Tertiary Amines
Secondary Carboxylic Acid Amides
Ethers
Polyamines
Carboxylic Acids
Enolates
alpha-amino acid amide
aminobenzenesulfonamide
benzenesulfonamide
acetanilide
alpha-amino acid or derivative
benzoyl
oxazinane
morpholine
sulfonamide
sulfonyl
sulfonic acid derivative
secondary carboxylic acid amide
carboxamide group
hydroxamic acid
tertiary amine
polyamine
carboxylic acid derivative
ether
enolate
carboxylic acid
amine
organonitrogen compound
logP
3.78
ALOGPS
logS
-4.8
ALOGPS
Water Solubility
1.01e-02 g/l
ALOGPS
logP
4.33
ChemAxon
IUPAC Name
N-(4-{[(1R)-1-(hydroxycarbamoyl)-2-methylpropyl][2-(morpholin-4-yl)ethyl]sulfamoyl}phenyl)-4-pentylbenzamide
ChemAxon
Traditional IUPAC Name
N-(4-{[(1R)-1-(hydroxycarbamoyl)-2-methylpropyl][2-(morpholin-4-yl)ethyl]sulfamoyl}phenyl)-4-pentylbenzamide
ChemAxon
Molecular Weight
574.732
ChemAxon
Monoisotopic Weight
574.282505786
ChemAxon
SMILES
CCCCCC1=CC=C(C=C1)C(=O)NC1=CC=C(C=C1)S(=O)(=O)N(CCN1CCOCC1)[C@H](C(C)C)C(=O)NO
ChemAxon
Molecular Formula
C29H42N4O6S
ChemAxon
InChI
InChI=1S/C29H42N4O6S/c1-4-5-6-7-23-8-10-24(11-9-23)28(34)30-25-12-14-26(15-13-25)40(37,38)33(27(22(2)3)29(35)31-36)17-16-32-18-20-39-21-19-32/h8-15,22,27,36H,4-7,16-21H2,1-3H3,(H,30,34)(H,31,35)/t27-/m1/s1
ChemAxon
InChIKey
InChIKey=YJNCFXPJICILOK-HHHXNRCGSA-N
ChemAxon
Polar Surface Area (PSA)
128.28
ChemAxon
Refractivity
157.24
ChemAxon
Polarizability
63.92
ChemAxon
Rotatable Bond Count
13
ChemAxon
H Bond Acceptor Count
7
ChemAxon
H Bond Donor Count
3
ChemAxon
pKa (strongest acidic)
8.71
ChemAxon
pKa (strongest basic)
5.11
ChemAxon
Physiological Charge
0
ChemAxon
Number of Rings
3
ChemAxon
Bioavailability
0
ChemAxon
MDDR-Like Rule
true
ChemAxon
PubChem Compound
5288596
PubChem Substance
46508106
ChemSpider
4989
PDB
I52
BE0000642
72 kDa type IV collagenase
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
unknown
72 kDa type IV collagenase
Involved in tissue proteolysis activity
In addition to gelatin and collagens, it cleaves KiSS1 at a Gly-|-Leu bond
MMP2
16q13-q21
Cytoplasmic
None
5.09
73883.0
Human
HUGO Gene Nomenclature Committee (HGNC)
HGNC:7166
GenAtlas
MMP2
GeneCards
MMP2
GenBank Gene Database
J03210
GenBank Protein Database
180671
UniProtKB
P08253
UniProt Accession
MMP2_HUMAN
72 kDa gelatinase
72 kDa type IV collagenase precursor
EC 3.4.24.24
Gelatinase A
Matrix metalloproteinase-2
MMP-2
TBE- 1
>72 kDa type IV collagenase precursor
MEALMARGALTGPLRALCLLGCLLSHAAAAPSPIIKFPGDVAPKTDKELAVQYLNTFYGC
PKESCNLFVLKDTLKKMQKFFGLPQTGDLDQNTIETMRKPRCGNPDVANYNFFPRKPKWD
KNQITYRIIGYTPDLDPETVDDAFARAFQVWSDVTPLRFSRIHDGEADIMINFGRWEHGD
GYPFDGKDGLLAHAFAPGTGVGGDSHFDDDELWTLGEGQVVRVKYGNADGEYCKFPFLFN
GKEYNSCTDTGRSDGFLWCSTTYNFEKDGKYGFCPHEALFTMGGNAEGQPCKFPFRFQGT
SYDSCTTEGRTDGYRWCGTTEDYDRDKKYGFCPETAMSTVGGNSEGAPCVFPFTFLGNKY
ESCTSAGRSDGKMWCATTANYDDDRKWGFCPDQGYSLFLVAAHEFGHAMGLEHSQDPGAL
MAPIYTYTKNFRLSQDDIKGIQELYGASPDIDLGTGPTPTLGPVTPEICKQDIVFDGIAQ
IRGEIFFFKDRFIWRTVTPRDKPMGPLLVATFWPELPEKIDAVYEAPQEEKAVFFAGNEY
WIYSASTLERGYPKPLTSLGLPPDVQRVDAAFNWSKNKKTYIFAGDKFWRYNEVKKKMDP
GFPKLIADAWNAIPDNLDAVVDLQGGGHSYFFKGAYYLKLENQSLKSVKFGSIKSDWLGC
>1936 bp
CCTCTGTCTCCTGGGCTGCCTGCTGAGCCACGCCGCCGCCGCGCCGTCGCCCATCATCAA
GTTCCCCGGCGATGTCGCCCCCAAAACGGACAAAGAGTTGGCAGTGCAATACCTGAACAC
CTTCTATGGCTGCCCCAAGGAGAGCTGCAACCTGTTTGTGCTGAAGGACACACTAAAGAA
GATGCAGAAGTTCTTTGGACTGCCCCAGACAGGTGATCTTGACCAGAATACCATCGAGAC
CATGCGGAAGCCACGCTGCGGCAACCCAGATGTGGCCAACTACAACTTCTTCCCTCGCAA
GCCCAAGTGGGACAAGAACCAGATCACATACAGGATCATCGGCTACACACCTGATCTGGA
CCCAGAGACAGTGGATGATGCCTTTGCTCGTGCCTTCCAAGTCTGGAGCGATGTGACCCC
ACTGCGGTTTTCTCGAATCCATGATGGAGAGGCAGACATCATGATCAACTTTGGCCGCTG
GGAGCATGGCGATGGATACCCCTTTGACGGTAAGGACGGACTCCTGGCTCATGCCTTCGC
CCCAGGCACTGGTGTTGGGGGAGACTCCCATTTTGATGACGATGAGCTATGGACCTTGGG
AGAAGGCCAAGTGGTCCGTGTGAAGTATGGGAACGCCGATGGGGAGTACTGCAAGTTCCC
CTTCTTGTTCAATGGCAAGGAGTACAACAGCTGCACTGATACTGGCCGCAGCGATGGCTT
CCTCTGGTGCTCCACCACCTACAACTTTGAGAAGGATGGCAAGTACGGCTTCTGTCCCCA
TGAAGCCCTGTTCACCATGGGCGGCAACGCTGAAGGACAGCCCTGCAAGTTTCCATTCCG
CTTCCAGGGCACATCCTATGACAGCTGCACCACTGAGGGCCGCACGGATGGCTACCGCTG
GTGCGGCACCACTGAGGACTACGACCGCGACAAGAAGTATGGCTTCTGCCCTGAGACCGC
CATGTCCACTGTTGGTGGGAACTCAGAAGGTGCCCCCTGTGTCTTCCCCTTCACTTTCCT
GGGCAACAAATATGAGAGCTGCACCAGCGCCGGCCGCAGTGACGGAAAGATGTGGTGTGC
GACCACAGCCAACTACGATGACGACCGCAAGTGGGGCTTCTGCCCTGACCAAGGGTACAG
CCTGTTCCTCGTGGCAGCCCACGAGTTTGGCCACGCCATGGGGCTGGAGCACTCCCAAGA
CCCTGGGGCCCTGATGGCACCCATTTACACCTACACCAAGAACTTCCGTCTGTCCCAGGA
TGACATCAAGGGCATTCAGGAGCTCTATGGGGCCTCTCCTGACATTGACCTTGGCACCGG
CCCCACCCCCACACTGGGCCCTGTCACTCCTGAGATCTGCAAACAGGACATTGTATTTGA
TGGCATCGCTCAGATCCGTGGTGAGATCTTCTTCTTCAAGGACCGGTTCATTTGGCGGAC
TGTGACGCCACGTGACAAGCCCATGGGGCCCCTGCTGGTGGCCACATTCTGGCCTGAGCT
CCCGGAAAAGATTGATGCGGTATACGAGGCCCCACAGGAGGAGAAGGCTGTGTTCTTTGC
AGGGAATGAATACTGGATCTACTCAGCCAGCACCTTGGAGCGAGGGTACCCCAAGCCACT
GACCAGCCTGGGACTGCCCCCTGATGTCCAGCGAGTGGATGCCGCCTTTAACTGGAGCAA
AAACAAGAAGACATACATCTTTGCTGGAGACAAATTCTGGAGATACAATGAGGTGAAGAA
GAAAATGGATCCTGGCTTCCCCAAGCTCATCGCAGATGCCTGGAATGCCATCCCCGATAA
CCTGGATGCCGTCGTGGACCTGCAGGGCGGCGGTCACAGCTACTTCTTCAAGGGTGCCTA
TTACCTGAAGCTGGAGAACCAAAGTCTGAAGAGCGTGAAGTTTGGAAGCATCAAATCCGA
CTGGCTAGGCTGCTGA
PF00040
fn2
PF00045
Hemopexin
PF00413
Peptidase_M10
PF01471
PG_binding_1
component
extracellular matrix
component
extracellular matrix (sensu Metazoa)
function
ion binding
function
peptidase activity
function
cation binding
function
endopeptidase activity
function
transition metal ion binding
function
metallopeptidase activity
function
zinc ion binding
function
metalloendopeptidase activity
function
binding
function
catalytic activity
function
hydrolase activity
process
macromolecule metabolism
process
peptidoglycan metabolism
process
proteolysis
process
carbohydrate metabolism
process
physiological process
process
protein metabolism
process
metabolism
process
cellular protein metabolism
process
cellular carbohydrate metabolism
"
|
| rdfs:label |
"SC-74020"
|
| rdf:type | |
| 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