Showing drug card for G418 (DB04263)

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Version	2.5
Creation Date	2005-06-13 13:24:05
Update Date	2008-08-26 14:20:26
Primary Accession Number	DB04263
Secondary Accession Number	EXPT01586
Name	G418
Drug Type	Experimental Small Molecule
Description	G418 (also known as Geneticin) is an aminoglycoside antibiotic similar in structure to gentamicin B1. It is produced by Micromonospora rhodorangea. G418 blocks polypeptide synthesis by inhibiting the elongation step in both prokaryotic and eukaryotic cells. Resistance to G418 is conferred by the neo gene from Tn5 encoding an aminoglycoside 3â€˜-phosphotransferase, APH 3â€˜ II. G418 is commonly used in laboratory research to select genetically engineered cells.
Synonyms	Not Available
Brand Names	Not Available
Brand Mixtures	Not Available
Chemical IUPAC Name	(2R,3S,4R,5R,6S)-5-amino-6-[(1R,2S,3S,4R,6S)-4,6-diamino-3-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-methylaminooxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-2-(1-hydroxyethyl)oxane-3,4-diol
Chemical Formula	C₂₀H₄₀N₄O₁₀
Chemical Structure
CAS Registry Number	49863-47-0
InChI Identifier	InChI=1/C20H40N4O10/c1-6(25)14-11(27)10(26)9(23)18(32-14)33-15-7(21)4-8(22)16(12(15)28)34-19-13(29)17(24-3)20(2,30)5-31-19/h6-19,24-30H,4-5,21-23H2,1-3H3
InChI Key	BRZYSWJRSDMWLG-UHFFFAOYAE
KEGG Drug	Not Available
KEGG Compound	Not Available
PubChem Compound	123865
PubChem Substance	10635460
ChEBI ID	Not Available
PharmGKB ID	Not Available
HET ID	GET
GenBank ID	Not Available
Drug ID Number [DIN]	Not Available
RxList Link	Not Available
PDRhealth Link	Not Available
Wikipedia Link	http://en.wikipedia.org/wiki/G418
FDA Label	Not Available
Material Safety Data Sheet (MSDS)	Not Available
Synthesis Reference	Not Available
Average Molecular Weight	496.5524
Monoisotopic Molecular Weight	496.2744
State	Solid
Melting Point	Not Available
Experimental Water Solubility	Not Available Source: PhysProp
Predicted Water Solubility	5.83e+01 mg/mL Calculated using ALOGPS
Experimental LogP/Hydrophobicity	Not Available Source: PhysProp
Predicted LogP	-2.41 Calculated using ALOGPS
Experimental LogS	Not Available
Predicted LogS	-0.93 Calculated using ALOGPS
Experimental Caco2 Permeability	Not Available
pKa/Isoelectric Point	Not Available
Mass Spectrum	Not Available
MOL File	Show \| Download
SDF File	Show \| Download
PDB File	Show \| Download
2D Structure
3D Structure
Experimental PDB ID	1NJJ
Experimental PDB File	Show
Experimental PDB Structure
Isomeric SMILES	CN[C@H]1[C@H](O)[C@H](OC[C@]1(C)O)O[C@@H]1[C@@H](N)C[C@@H](N)[C@H](O[C@H]2O[C@@H]([C@@H](C)O)[C@H](O)[C@@H](O)[C@@H]2N)[C@H]1O
Canonical SMILES	CNC1C(O)C(OCC1(C)O)OC1C(N)CC(N)C(OC2OC(C(C)O)C(O)C(O)C2N)C1O
Drug Category	Amebicides Coccidiostats
ATC Codes	Not Available
AHFS Codes	Not Available
Indication	Not Available
Pharmacology	Not Available
Mechanism of Action	Not Available
Absorption	Not Available
Toxicity	Not Available
Protein Binding	Not Available
Biotransformation	Not Available
Half Life	Not Available
Dosage Forms	Not Available
Patient Information	Not Available
Contraindications	Not Available
Interactions	Not Available
Drug Interactions	Not Available
Food Interactions	Not Available
Pathways	Not Available
General References	Wikipedia
Organisms Affected	Not Available
Targets	Ornithine decarboxylase

Drug Target 1 [top]

Target 1 ID

2438

Target 1 Name

Ornithine decarboxylase

Target 1 Synonyms

EC 4.1.1.17
ODC

Target 1 Gene Name

Not Available

Target 1 Protein Sequence

>Ornithine decarboxylase

MDIVVNDDLSCRFLEGFNTRDALCKKISMNTCDEGDPFFVADLGDIVRKHETWKKCLPRV
TPFYAVKCNDDWRVLGTLAALGTGFDCASNTEIQRVRGIGVPPEKIIYANPCKQISHIRY
ARDSGVDVMTFDCVDELEKVAKTHPKAKMVLRISTDDSLARCRLSVKFGAKVEDCRFILE
QAKKLNIDVTGVSFHVGSGSTDASTFAQAISDSRFVFDMGTELGFNMHILDIGGGFPGTR
DAPLKFEEIAGVINNALEKHFPPDLKLTIVAEPGRYYVASAFTLAVNVIAKKVTPGVQTD
VGAHAESNAQSFMYYVNDGVYGSFNCILYDHAVVRPLPQREPIPNEKLYPSSVWGPTCDG
LDQIVERYYLPEMQVGEWLLFEDMGAYTVVGTSSFNGFQSPTIYYVVSGLPDHVVRELKS
QKS

Target 1 Number of Residues

430

Target 1 Molecular Weight

46882

Target 1 Theoretical pI

5.46

Target 1 GO Classification

Function
catalytic activity
Process
physiological process metabolism cellular metabolism amino acid and derivative metabolism amino acid derivative metabolism biogenic amine metabolism polyamine metabolism polyamine biosynthesis
Component
Not Available

Target 1 General Function

Amino acid transport and metabolism

Target 1 Specific Function

L-ornithine = putrescine + CO(2)

Target 1 Pathways

Name	SMPDB Link	KEGG Link
Urea cycle and metabolism of amino groups		map00220

Target 1 Reactions

L-ornithine = putrescine + CO2

Target 1 Pfam Domain Function

Orn_DAP_Arg_deC (PF00278 )
Orn_Arg_deC_N (PF02784 )

Target 1 Signals

None

Target 1 Transmembrane Regions

None

Target 1 Essentiality

Essential

Target 1 GenBank ID Protein

162174

Target 1 UniProtKB/Swiss-Prot ID

P07805

Target 1 UniProtKB/Swiss-Prot Entry Name

DCOR_TRYBB Link Image

Target 1 PDB ID

1NJJ

Target 1 PDB File

Show

Target 1 3D Structure

Target 1 Cellular Location

Not Available

Target 1 Gene Sequence

>1338 bp

ATGACCACCAAATCAACCCCCTCTTCTCTCTCTGTGAATTGTCTTGTAGCACAAACGGAG
AAATCTATGGACATTGTCGTGAACGATGACTTGAGTTGTCGCTTTCTTGAAGGGTTTAAT
ACGAGGGATGCCCTCTGTAAAAAGATCAGTATGAATACGTGTGACGAAGGTGATCCGTTT
TTTGTTGCCGATCTCGGGGACATTGTAAGGAAGCACGAAACATGGAAAAAATGCCTTCCC
CGCGTCACGCCGTTTTACGCGGTCAAATGCAACGATGACTGGCGCGTACTTGGAACGCTG
GCGGCTCTCGGCACGGGATTTGATTGTGCTAGCAACACTGAGATACAACGTGTGAGAGGC
ATTGGTGTGCCACCGGAAAAAATAATATATGCGAACCCTTGTAAACAAATTTCACACATA
CGGTACGCGCGTGATAGCGGCGTTGATGTCATGACATTTGATTGCGTGGATGAACTGGAA
AAGGTCGCTAAAACGCATCCAAAGGCAAAGATGGTATTAAGAATTTCTACGGATGATTCG
TTGGCTCGATGCCGTCTCAGTGTGAAGTTTGGTGCAAAGGTGGAAGACTGTAGGTTTATC
TTGGAGCAGGCAAAGAAACTGAATATCGACGTCACTGGTGTGAGTTTTCACGTGGGAAGC
GGATCTACAGATGCCTCTACCTTCGCTCAAGCCATATCTGACTCCCGTTTCGTTTTCGAC
ATGGGTACTGAGCTTGGGTTCAATATGCACATTCTTGATATCGGTGGTGGGTTTCCAGGG
ACGAGGGATGCACCACTTAAATTTGAAGAGATTGCTGGTGTCATCAACAATGCGCTGGAA
AAACATTTTCCACCTGACCTCAAGCTTACCATTGTTGCCGAGCCGGGAAGGTACTACGTT
GCTTCAGCTTTCACACTTGCCGTAAATGTTATTGCCAAGAAGGTGACACCAGGGGTTCAG
ACCGACGTCGGTGCCCATGCTGAATCAAACGCACAGAGTTTTATGTATTATGTGAATGAT
GGCGTGTATGGTTCATTTAATTGCATCCTGTATGACCACGCAGTCGTCAGGCCTTTGCCC
CAGAGGGAGCCAATCCCCAATGAAAAGCTCTATCCCTCAAGTGTATGGGGTCCCACATGT
GATGGTCTTGATCAGATAGTTGAACGATACTATCTTCCCGAGATGCAAGTGGGGGAATGG
CTGCTCTTTGAGGATATGGGTGCCTACACGGTCGTAGGAACTTCTTCCTTTAATGGATTC
CAGAGTCCGACTATTTACTATGTAGTCTCCGGGCTACCAGACCATGTTGTCCGGGAGTTG
AAAAGTCAAAAATCATAA

Target 1 GenBank Gene ID

Target 1 GeneCard ID

Not Available

Target 1 GenAtlas ID

Not Available

Target 1 HGNC ID

Not Available

Target 1 Chromosome Location

Not Available

Target 1 Locus

Not Available

Target 1 SNPs

Not Available

Target 1 General References

Grishin NV, Osterman AL, Brooks HB, Phillips MA, Goldsmith EJ: X-ray structure of ornithine decarboxylase from Trypanosoma brucei: the native structure and the structure in complex with alpha-difluoromethylornithine. Biochemistry. 1999 Nov 16;38(46):15174-84. [PubMed ]
Jackson LK, Brooks HB, Osterman AL, Goldsmith EJ, Phillips MA: Altering the reaction specificity of eukaryotic ornithine decarboxylase. Biochemistry. 2000 Sep 19;39(37):11247-57. [PubMed ]
Phillips MA, Coffino P, Wang CC: Cloning and sequencing of the ornithine decarboxylase gene from Trypanosoma brucei. Implications for enzyme turnover and selective difluoromethylornithine inhibition. J Biol Chem. 1987 Jun 25;262(18):8721-7. [PubMed ]

Target 1 Drug References

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 ]
Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [PubMed ]

This project is supported by Genome Alberta & Genome Canada, a not-for-profit organization that is leading Canada's national genomics strategy with $600 million in funding from the federal government. This project is also supported in part by GenomeQuest, Inc., an enterprise genomic information company serving the life science community.