Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB01673"
| Predicate | Value (sorted: none) |
|---|---|
| owl:sameAs | |
| rdf:type | |
| rdfs:label |
"Uridine-5'-Diphosphate-N-Acetylmuramoyl-L-Alanine"
|
| ns1:description |
"
experimental
This compound belongs to the pyrimidine nucleotide sugars. These are pyrimidine nucleotides bound to a saccharide derivative through the terminal phosphate group.
Pyrimidine Nucleotide Sugars
Organic Compounds
Organooxygen Compounds
Carbohydrates and Carbohydrate Conjugates
Glycosyl Compounds
Pyrimidine Ribonucleoside Diphosphates
Mixed Pentose/Hexose Disaccharides
Glycoamino Acids and Derivatives
N-acyl-alpha-hexosamines
Disaccharide Phosphates
N-acyl-alpha Amino Acids
Organic Pyrophosphates
Pyrimidones
Hydropyrimidines
Organophosphate Esters
Oxanes
Organic Phosphoric Acids
Tetrahydrofurans
Oxolanes
Secondary Carboxylic Acid Amides
Secondary Alcohols
1,2-Diols
Primary Alcohols
Enolates
Polyamines
Carboxylic Acids
Ethers
mixed pentose/hexose disaccharide
glyco amino acid
disaccharide phosphate
n-acyl-alpha-hexosamine
n-acyl-alpha amino acid or derivative
n-acyl-alpha-amino acid
glucosamine
disaccharide
alpha-amino acid or derivative
amino sugar
organic pyrophosphate
pyrimidone
hydropyrimidine
pyrimidine
phosphoric acid ester
organic phosphate
oxane
oxolane
tetrahydrofuran
secondary alcohol
1,2-diol
secondary carboxylic acid amide
carboxamide group
polyol
enolate
polyamine
ether
primary alcohol
carboxylic acid derivative
carboxylic acid
alcohol
organonitrogen compound
amine
logP
-1.4
ALOGPS
logS
-1.9
ALOGPS
Water Solubility
9.58e+00 g/l
ALOGPS
logP
-5.1
ChemAxon
IUPAC Name
(2R)-2-[(2R)-2-{[(2R,3S,4S,5R,6S)-2-({[({[(2S,3R,4R,5R)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-3-acetamido-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}propanamido]propanoic acid
ChemAxon
Traditional IUPAC Name
(2R)-2-[(2R)-2-{[(2R,3S,4S,5R,6S)-2-[({[(2S,3R,4R,5R)-5-(2,4-dioxo-3H-pyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)oxy]-3-acetamido-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}propanamido]propanoic acid
ChemAxon
Molecular Weight
750.4943
ChemAxon
Monoisotopic Weight
750.139812636
ChemAxon
SMILES
C[C@@H](NC(=O)[C@@H](C)O[C@@H]1[C@@H](O)[C@H](CO)O[C@H](O[P@](O)(=O)O[P@@](O)(=O)OC[C@@H]2O[C@H]([C@H](O)[C@H]2O)N2C=CC(=O)NC2=O)[C@H]1NC(C)=O)C(O)=O
ChemAxon
Molecular Formula
C23H36N4O20P2
ChemAxon
InChI
InChI=1S/C23H36N4O20P2/c1-8(21(35)36)24-19(34)9(2)43-18-14(25-10(3)29)22(45-11(6-28)16(18)32)46-49(40,41)47-48(38,39)42-7-12-15(31)17(33)20(44-12)27-5-4-13(30)26-23(27)37/h4-5,8-9,11-12,14-18,20,22,28,31-33H,6-7H2,1-3H3,(H,24,34)(H,25,29)(H,35,36)(H,38,39)(H,40,41)(H,26,30,37)/t8-,9-,11+,12+,14+,15+,16+,17-,18+,20-,22-/m1/s1
ChemAxon
InChIKey
InChIKey=NTMMCWJNQNKACG-RXHIUOCHSA-N
ChemAxon
Polar Surface Area (PSA)
355.81
ChemAxon
Refractivity
150.18
ChemAxon
Polarizability
65.65
ChemAxon
Rotatable Bond Count
15
ChemAxon
H Bond Acceptor Count
17
ChemAxon
H Bond Donor Count
10
ChemAxon
pKa (strongest acidic)
1.73
ChemAxon
pKa (strongest basic)
-3.7
ChemAxon
Physiological Charge
-3
ChemAxon
Number of Rings
3
ChemAxon
Bioavailability
0
ChemAxon
MDDR-Like Rule
true
ChemAxon
PubChem Compound
46936185
PubChem Substance
46507193
PDB
UMA
BE0001258
UDP-N-acetylmuramoylalanine--D-glutamate ligase
Escherichia coli (strain K12)
# 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
UDP-N-acetylmuramoylalanine--D-glutamate ligase
Cell wall/membrane/envelope biogenesis
Cell wall formation. Catalyzes the addition of glutamate to the nucleotide precursor UDP-N-acetylmuramoyl-L-alanine (UMA)
murD
Cytoplasm
None
4.96
46974.0
Escherichia coli (strain K12)
GenBank Gene Database
X51584
GenBank Protein Database
42060
UniProtKB
P14900
UniProt Accession
MURD_ECOLI
D-glutamic acid- adding enzyme
EC 6.3.2.9
UDP-N- acetylmuramoyl-L-alanyl-D-glutamate synthetase
>UDP-N-acetylmuramoylalanine--D-glutamate ligase
MADYQGKNVVIIGLGLTGLSCVDFFLARGVTPRVMDTRMTPPGLDKLPEAVERHTGSLND
EWLMAADLIVASPGIALAHPSLSAAADAGIEIVGDIELFCREAQAPIVAITGSNGKSTVT
TLVGEMAKAAGVNVGVGGNIGLPALMLLDDECELYVLELSSFQLETTSSLQAVAATILNV
TEDHMDRYPFGLQQYRAAKLRIYENAKVCVVNADDALTMPIRGADERCVSFGVNMGDYHL
NHQQGETWLRVKGEKVLNVKEMKLSGQHNYTNALAALALADAAGLPRASSLKALTTFTGL
PHRFEVVLEHNGVRWINDSKATNVGSTEAALNGLHVDGTLHLLLGGDGKSADFSPLARYL
NGDNVRLYCFGRDGAQLAALRPEVAEQTETMEQAMRLLAPRVQPGDMVLLSPACASLDQF
KNFEQRGNEFARLAKELG
>1317 bp
ATGGCTGATTATCAGGGTAAAAATGTCGTCATTATCGGCCTGGGCCTCACCGGGCTTTCC
TGCGTGGACTTTTTCCTCGCTCGCGGTGTGACGCCGCGCGTTATGGATACGCGTATGACA
CCGCCTGGCCTGGATAAATTACCCGAAGCCGTAGAACGCCACACGGGCAGTCTGAATGAT
GAATGGCTGATGGCGGCAGATCTGATTGTCGCCAGTCCCGGTATTGCACTGGCGCATCCA
TCCTTAAGCGCTGCCGCTGATGCCGGAATCGAAATCGTTGGCGATATCGAGCTGTTCTGT
CGCGAAGCACAAGCACCGATTGTGGCGATTACCGGTTCTAACGGCAAAAGCACGGTCACC
ACGCTAGTGGGTGAAATGGCGAAAGCGGCGGGGGTTAACGTTGGTGTGGGTGGCAATATT
GGCCTGCCTGCGTTGATGCTACTGGATGATGAGTGTGAACTGTACGTGCTGGAACTGTCG
AGCTTCCAGCTGGAAACCACCTCCAGCTTACAGGCGGTAGCAGCGACCATTCTGAACGTG
ACTGAAGATCATATGGATCGCTATCCGTTTGGTTTACAACAGTATCGTGCAGCAAAACTG
CGCATTTACGAAAACGCGAAAGTTTGCGTGGTTAATGCTGATGATGCCTTAACAATGCCG
ATTCGCGGTGCGGATGAACGCTGCGTCAGCTTTGGCGTCAACATGGGTGACTATCACCTG
AATCATCAGCAGGGCGAAACCTGGCTGCGGGTTAAAGGCGAGAAAGTGCTGAATGTGAAA
GAGATGAAACTTTCCGGGCAGCATAACTACACCAATGCGCTGGCGGCGCTGGCGCTGGCA
GATGCTGCAGGGTTACCGCGTGCCAGCAGCCTGAAAGCGTTAACCACATTCACTGGTCTG
CCGCATCGCTTTGAAGTTGTGCTGGAGCATAACGGCGTACGTTGGATTAACGATTCGAAA
GCGACCAACGTCGGCAGTACGGAAGCGGCGCTGAATGGCCTGCACGTAGACGGCACACTG
CATTTGTTGCTGGGTGGCGATGGTAAATCGGCGGACTTTAGCCCACTGGCGCGTTACCTG
AATGGCGATAACGTACGTCTGTATTGTTTCGGTCGTGACGGCGCGCAGCTGGCGGCGCTA
CGCCCGGAAGTGGCAGAACAAACCGAAACTATGGAACAGGCGATGCGCTTGCTGGCTCCG
CGTGTTCAGCCGGGCGATATGGTTCTGCTCTCCCCAGCCTGTGCCAGCCTTGATCAGTTC
AAGAACTTTGAACAACGAGGCAATGAGTTTGCCCGTCTGGCGAAGGAGTTAGGTTGA
PF02875
Mur_ligase_C
PF08245
Mur_ligase_M
component
cell
component
intracellular
component
cytoplasm
function
binding
function
nucleotide binding
function
purine nucleotide binding
function
adenyl nucleotide binding
function
ligase activity, forming carbon-nitrogen bonds
function
acid-amino acid ligase activity
function
catalytic activity
function
ATP binding
function
ligase activity
function
UDP-N-acetylmuramoylalanine-D-glutamate ligase activity
process
macromolecule metabolism
process
cellular carbohydrate metabolism
process
peptidoglycan metabolism
process
physiological process
process
peptidoglycan biosynthesis
process
cellular physiological process
process
cell organization and biogenesis
process
biosynthesis
process
external encapsulating structure organization and biogenesis
process
carbohydrate metabolism
process
development
process
cell wall organization and biogenesis
process
cell division
process
cell wall organization and biogenesis (sensu Bacteria)
process
morphogenesis
process
cell wall biosynthesis (sensu Bacteria)
process
cellular morphogenesis
process
regulation of cell shape
process
metabolism
BE0001247
UDP-N-acetylmuramate--L-alanine ligase
Haemophilus influenzae (strain ATCC 51907 / DSM 11121 / KW20 / Rd)
# 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
UDP-N-acetylmuramate--L-alanine ligase
Cell wall/membrane/envelope biogenesis
Cell wall formation
murC
Cytoplasm (Probable)
None
5.97
51995.0
Haemophilus influenzae (strain ATCC 51907 / DSM 11121 / KW20 / Rd)
GenBank Gene Database
L42023
GenBank Protein Database
1574695
UniProtKB
P45066
UniProt Accession
MURC_HAEIN
EC 6.3.2.8
UDP-N- acetylmuramoyl-L-alanine synthetase
>UDP-N-acetylmuramate--L-alanine ligase
MKHSHEEIRKIIPEMRRVQQIHFIGIGGAGMSGIAEILLNEGYQISGSDIADGVVTQRLA
QAGAKIYIGHAEEHIEGASVVVVSSAIKDDNPELVTSKQKRIPVIQRAQMLAEIMRFRHG
IAVAGTHGKTTTTAMISMIYTQAKLDPTFVNGGLVKSAGKNAHLGASRYLIAEADESDAS
FLHLQPMVSVVTNMEPDHMDTYEGDFEKMKATYVKFLHNLPFYGLAVMCADDPVLMELVP
KVGRQVITYGFSEQADYRIEDYEQTGFQGHYTVICPNNERINVLLNVPGKHNALNATAAL
AVAKEEGIANEAILEALADFQGAGRRFDQLGEFIRPNGKVRLVDDYGHHPTEVGVTIKAA
REGWGDKRIVMIFQPHRYSRTRDLFDDFVQVLSQVDALIMLDVYAAGEAPIVGADSKSLC
RSIRNLGKVDPILVSDTSQLGDVLDQIIQDGDLILAQGAGSVSKISRGLAESWKN
>1428 bp
ATGAAACATTCCCACGAAGAAATTAGAAAAATTATCCCTGAAATGCGCCGTGTACAGCAA
ATTCATTTCATTGGCATTGGTGGTGCGGGAATGAGCGGCATTGCAGAAATTTTATTAAAT
GAAGGTTATCAAATTTCAGGTTCAGATATTGCCGATGGCGTAGTCACTCAACGTTTAGCT
CAAGCTGGGGCAAAAATCTACATTGGTCATGCAGAAGAACATATTGAAGGTGCCAGTGTT
GTTGTTGTGTCTAGTGCGATAAAAGATGATAACCCTGAATTAGTTACATCGAAACAAAAA
CGCATTCCAGTGATTCAACGCGCACAAATGTTGGCGGAGATTATGCGTTTTCGTCACGGT
ATTGCTGTTGCAGGAACACACGGGAAAACGACAACAACAGCAATGATTTCAATGATTTAC
ACCCAAGCTAAACTTGATCCGACTTTTGTAAATGGCGGTTTAGTGAAATCGGCGGGTAAG
AATGCACATTTAGGAGCAAGTCGTTATTTAATTGCCGAAGCCGATGAAAGTGATGCGTCG
TTTTTGCATTTACAGCCAATGGTATCTGTTGTAACTAATATGGAGCCAGACCATATGGAT
ACTTACGAAGGCGATTTTGAAAAAATGAAAGCCACTTATGTGAAATTCCTGCATAATTTA
CCCTTCTATGGTTTAGCCGTGATGTGCGCTGATGATCCTGTTTTAATGGAACTTGTGCCA
AAAGTTGGTCGCCAAGTGATTACATATGGTTTTAGTGAACAGGCAGATTATCGCATTGAA
GATTATGAACAAACAGGTTTTCAAGGTCATTACACGGTGATTTGCCCAAATAATGAACGT
ATTAATGTGTTGCTCAATGTTCCTGGAAAACATAATGCATTAAATGCAACGGCTGCACTT
GCTGTAGCAAAAGAAGAGGGTATTGCTAACGAGGCAATTTTAGAAGCTCTGGCTGATTTT
CAGGGGGCTGGTCGTCGTTTTGATCAGCTAGGCGAATTTATTCGTCCAAATGGTAAAGTG
CGTTTAGTTGATGATTATGGTCATCATCCAACAGAAGTAGGCGTAACCATTAAAGCGGCG
CGAGAAGGCTGGGGAGATAAACGTATTGTAATGATTTTCCAACCGCATCGTTATTCTCGC
ACTCGTGATTTGTTTGATGATTTTGTACAAGTGCTTTCGCAAGTAGACGCTTTGATTATG
CTTGATGTGTACGCAGCGGGAGAAGCCCCTATTGTTGGCGCTGACAGTAAATCTCTTTGC
CGTTCCATTCGTAATCTTGGTAAAGTTGATCCTATTTTGGTATCAGATACTTCGCAACTA
GGCGATGTTCTCGATCAAATTATTCAAGATGGCGATTTGATTTTGGCACAAGGTGCTGGT
AGCGTAAGTAAAATTTCTCGTGGCTTGGCTGAATCTTGGAAGAATTAA
PF02875
Mur_ligase_C
PF08245
Mur_ligase_M
PF01225
Mur_ligase
component
cell
component
intracellular
component
cytoplasm
function
purine nucleotide binding
function
adenyl nucleotide binding
function
ligase activity, forming carbon-nitrogen bonds
function
acid-amino acid ligase activity
function
UDP-N-acetylmuramate-L-alanine ligase activity
function
catalytic activity
function
ATP binding
function
ligase activity
function
binding
function
nucleotide binding
process
peptidoglycan metabolism
process
physiological process
process
peptidoglycan biosynthesis
process
cellular physiological process
process
cell organization and biogenesis
process
biosynthesis
process
external encapsulating structure organization and biogenesis
process
carbohydrate metabolism
process
development
process
cell wall organization and biogenesis
process
cell wall organization and biogenesis (sensu Bacteria)
process
cell division
process
cell wall biosynthesis (sensu Bacteria)
process
morphogenesis
process
cellular morphogenesis
process
metabolism
process
regulation of cell shape
process
macromolecule metabolism
process
cellular carbohydrate metabolism
"
|
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines/drugbank_small.nt
The resource does not appear as an object