Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB02626"
| Predicate | Value (sorted: none) |
|---|---|
| rdf:type | |
| owl:sameAs | |
| rdfs:label |
"Phenylferricrocin-Iron"
|
| drugbank:description |
"
experimental
This compound belongs to the cyclic peptides. These are compounds containing a cyclic moiety bearing a peptide backbone.
Cyclic Peptides
Organic Compounds
Organic Acids and Derivatives
Carboxylic Acids and Derivatives
Amino Acids, Peptides, and Analogues
Macrolactams
Benzene and Substituted Derivatives
Secondary Carboxylic Acid Amides
Enolates
Carboxylic Acids
Polyamines
macrolactam
benzene
secondary carboxylic acid amide
carboxamide group
carboxylic acid
polyamine
enolate
amine
organonitrogen compound
logP
-5
ChemAxon
IUPAC Name
N-{3-[(2S,5S,11R,17S)-11-benzyl-5,17-bis[3-(N-hydroxyacetamido)propyl]-3,6,9,12,15,18-hexaoxo-1,4,7,10,13,16-hexaazacyclooctadecan-2-yl]propyl}-N-hydroxyacetamide iron
ChemAxon
Traditional IUPAC Name
N-{3-[(2S,5S,11R,17S)-11-benzyl-5,17-bis[3-(N-hydroxyacetamido)propyl]-3,6,9,12,15,18-hexaoxo-1,4,7,10,13,16-hexaazacyclooctadecan-2-yl]propyl}-N-hydroxyacetamide iron
ChemAxon
Molecular Weight
833.667
ChemAxon
Monoisotopic Weight
833.300660274
ChemAxon
SMILES
[Fe].CC(=O)N(O)CCC[C@@H]1NC(=O)CNC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)CNC(=O)[C@H](CCCN(O)C(C)=O)NC(=O)[C@H](CCCN(O)C(C)=O)NC1=O
ChemAxon
Molecular Formula
C34H51FeN9O12
ChemAxon
InChI
InChI=1S/C34H51N9O12.Fe/c1-21(44)41(53)15-7-12-25-31(49)35-20-30(48)38-28(18-24-10-5-4-6-11-24)32(50)36-19-29(47)37-26(13-8-16-42(54)22(2)45)33(51)40-27(34(52)39-25)14-9-17-43(55)23(3)46;/h4-6,10-11,25-28,53-55H,7-9,12-20H2,1-3H3,(H,35,49)(H,36,50)(H,37,47)(H,38,48)(H,39,52)(H,40,51);/t25-,26-,27-,28+;/m0./s1
ChemAxon
InChIKey
InChIKey=SJKVBDKBQHKHPK-OVSNALSBSA-N
ChemAxon
Polar Surface Area (PSA)
296.22
ChemAxon
Refractivity
191.17
ChemAxon
Polarizability
79.61
ChemAxon
Rotatable Bond Count
14
ChemAxon
H Bond Acceptor Count
12
ChemAxon
H Bond Donor Count
9
ChemAxon
pKa (strongest acidic)
7.93
ChemAxon
pKa (strongest basic)
-5.7
ChemAxon
Physiological Charge
0
ChemAxon
Number of Rings
2
ChemAxon
Bioavailability
0
ChemAxon
PubChem Compound
46936441
PubChem Substance
46508109
PDB
PFC
BE0001326
Ferrichrome-iron receptor
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
Ferrichrome-iron receptor
Inorganic ion transport and metabolism
This receptor binds the ferrichrome-iron ligand. It interacts with the tonB protein, which is responsible for energy coupling of the ferrichrome-promoted iron transport system. Acts as a receptor for bacteriophage T5 as well as T1, phi80 and colicin M. Binding of T5 triggers the opening of a high conductance ion channel. Can also transport the antibiotic albomycin
fhuA
Cell outer membrane; multi-pass membrane protein
193-201
207-215
223-231
246-255
260-268
313-321
327-335
388-396
405-413
465-473
478-486
509-517
523-531
552-560
566-574
602-610
614-622
646-654
662-670
690-698
706-714
738-746
5.35
82183.0
Escherichia coli (strain K12)
GenBank Gene Database
M12486
GenBank Protein Database
2226438
UniProtKB
P06971
UniProt Accession
FHUA_ECOLI
Ferric hydroxamate receptor
Ferric hydroxamate uptake
Ferrichrome-iron receptor precursor
>Ferrichrome-iron receptor precursor
MARSKTAQPKHSLRKIAVVVATAVSGMSVYAQAAVEPKEDTITVTAAPAPQESAWGPAAT
IAARQSATGTKTDTPIQKVPQSISVVTAEEMALHQPKSVKEALSYTPGVSVGTRGASNTY
DHLIIRGFAAEGQSQNNYLNGLKLQGNFYNDAVIDPYMLERAEIMRGPVSVLYGKSSPGG
LLNMVSKRPTTEPLKEVQFKAGTDSLFQTGFDFSDSLDDDGVYSYRLTGLARSANAQQKG
SEEQRYAIAPAFTWRPDDKTNFTFLSYFQNEPETGYYGWLPKEGTVEPLPNGKRLPTDFN
EGAKNNTYSRNEKMVGYSFDHEFNDTFTVRQNLRFAENKTSQNSVYGYGVCSDPANAYSK
QCAALAPADKGHYLARKYVVDDEKLQNFSVDTQLQSKFATGDIDHTLLTGVDFMRMRNDI
NAWFGYDDSVPLLNLYNPVNTDFDFNAKDPANSGPYRILNKQKQTGVYVQDQAQWDKVLV
TLGGRYDWADQESLNRVAGTTDKRDDKQFTWRGGVNYLFDNGVTPYFSYSESFEPSSQVG
KDGNIFAPSKGKQYEVGVKYVPEDRPIVVTGAVYNLTKTNNLMADPEGSFFSVEGGEIRA
RGVEIEAKAALSASVNVVGSYTYTDAEYTTDTTYKGNTPAQVPKHMASLWADYTFFDGPL
SGLTLGTGGRYTGSSYGDPANSFKVGSYTVVDALVRYDLARVGMAGSNVALHVNNLFDRE
YVASCFNTYGCFWGAERQVVATATFRF
>2244 bp
ATGGCGCGTTCCAAAACTGCTCAGCCAAAACACTCACTGCGTAAAATCGCAGTTGTAGTA
GCCACAGCGGTTAGCGGCATGTCTGTTTATGCACAGGCAGCGGTTGAACCGAAAGAAGAC
ACTATCACCGTTACCGCTGCACCTGCGCCGCAAGAAAGCGCATGGGGGCCTGCTGCAACT
ATTGCGGCGCGACAGTCTGCTACCGGCACTAAAACCGATACGCCGATTCAAAAAGTGCCA
CAGTCTATTTCTGTTGTGACCGCCGAAGAGATGGCGCTGCATCAGCCGAAGTCGGTAAAA
GAAGCGCTTAGCTACACGCCGGGTGTCTCTGTTGGTACGCGTGGCGCATCCAACACCTAT
GACCACCTGATCATTCGCGGCTTTGCGGCAGAAGGCCAAAGCCAGAATAACTATCTGAAT
GGCCTGAAGTTGCAGGGCAACTTCTATAACGATGCGGTCATTGACCCGTATATGCTGGAA
CGCGCTGAAATTATGCGTGGCCCGGTTTCCGTGCTTTACGGTAAAAGCAGTCCTGGCGGC
CTGTTGAATATGGTCAGCAAGCGTCCGACCACCGAACCGCTGAAAGAAGTTCAGTTTAAA
GCCGGTACTGACAGCCTGTTCCAGACTGGTTTTGACTTTAGCGATTCGTTGGATGATGAC
GGTGTTTACTCTTATCGCCTGACCGGTCTTGCGCGTTCTGCCAATGCCCAGCAGAAAGGG
TCAGAAGAGCAGCGTTATGCTATTGCACCGGCGTTCACCTGGCGTCCGGATGATAAAACC
AATTTTACCTTCCTTTCTTACTTCCAGAACGAGCCGGAAACCGGTTATTACGGCTGGTTG
CCGAAAGAGGGAACCGTTGAGCCGCTGCCGAACGGTAAGCGTCTGCCGACAGACTTTAAT
GAAGGGGCGAAGAACAACACCTATTCTCGTAATGAGAAGATGGTCGGCTACAGCTTCGAT
CACGAATTTAACGACACCTTTACTGTGCGTCAGAACCTGCGCTTTGCTGAAAACAAAACC
TCGCAAAACAGCGTTTATGGTTACGGCGTCTGCTCCGATCCGGCGAATGCTTACAGCAAA
CAGTGTGCGGCATTAGCGCCAGCGGATAAAGGCCATTATCTGGCACGTAAATACGTCGTT
GATGATGAGAAGCTGCAAAACTTCTCCGTTGATACCCAGTTGCAGAGCAAGTTTGCCACT
GGCGATATCGACCACACCCTGCTGACCGGTGTCGACTTTATGCGTATGCGTAATGACATC
AACGCCTGGTTTGGTTACGACGACTCTGTGCCACTGCTCAATCTGTACAATCCGGTGAAT
ACCGATTTCGACTTCAATGCCAAAGATCCGGCAAACTCCGGCCCTTACCGCATTCTGAAT
AAACAGAAACAAACGGGCGTTTATGTTCAGGATCAGGCGCAGTGGGATAAAGTGCTGGTC
ACCCTAGGCGGTCGTTATGACTGGGCAGATCAAGAATCTCTTAACCGCGTTGCCGGGACG
ACCGATAAACGTGATGACAAACAGTTTACCTGGCGTGGTGGTGTTAACTACCTGTTTGAT
AATGGTGTAACACCTTACTTCAGCTATAGCGAATCGTTTGAACCTTCTTCGCAAGTTGGG
AAGGATGGTAATATTTTCGCACCGTCTAAAGGTAAGCAGTATGAAGTCGGCGTGAAATAT
GTACCGGAAGATCGTCCGATTGTAGTTACTGGTGCCGTGTATAATCTCACTAAAACCAAC
AACCTGATGGCGGACCCTGAGGGTTCCTTCTTCTCGGTTGAAGGTGGCGAGATCCGCGCA
CGTGGCGTAGAAATCGAAGCGAAAGCGGCGCTGTCGGCGAGTGTTAACGTAGTCGGTTCT
TATACTTACACCGATGCGGAATACACCACCGATACTACCTATAAAGGCAATACGCCTGCA
CAGGTGCCAAAACACATGGCTTCGTTGTGGGCTGACTACACCTTCTTTGACGGTCCGCTT
TCAGGTCTGACGCTGGGCACCGGTGGTCGTTATACTGGCTCCAGTTATGGTGATCCGGCT
AACTCCTTTAAAGTGGGAAGTTATACGGTCGTGGATGCGTTAGTACGTTATGATCTGGCG
CGAGTCGGCATGGCTGGCTCCAACGTGGCGCTGCATGTTAACAACCTGTTCGATCGTGAA
TACGTCGCCAGCTGCTTTAACACTTATGGCTGCTTCTGGGGCGCAGAACGTCAGGTCGTT
GCAACCGCAACCTTCCGTTTCTAA
PF07715
Plug
PF00593
TonB_dep_Rec
component
membrane
component
cell
function
ion transporter activity
function
binding
function
signal transducer activity
function
receptor activity
function
ion binding
function
cation transporter activity
function
cation binding
function
di-, tri-valent inorganic cation transporter activity
function
transition metal ion binding
function
iron ion transporter activity
function
iron ion binding
function
siderophore-iron transporter activity
function
transporter activity
process
physiological process
process
cellular physiological process
process
siderophore transport
process
transport
"
|
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines3/drugbank_small.nt
The resource does not appear as an object