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Version 2.5
Creation Date 2005-06-13 13:24:05
Update Date 2008-08-26 14:20:18
Primary Accession Number DB01828
Secondary Accession Number
  • EXPT02363
Name Methylamine
Drug Type
  • Experimental
  • Small Molecule
Description Not Available
Synonyms Not Available
Brand Names Not Available
Brand Mixtures Not Available
Chemical IUPAC Name methanamine
Chemical Formula CH5N
Chemical Structure Structure
CAS Registry Number 74-89-5
InChI Identifier InChI=1/CH5N/c1-2/h2H2,1H3
InChI Key BAVYZALUXZFZLV-UHFFFAOYAN
KEGG Drug Not Available
KEGG Compound C00218 Link Image
PubChem Compound 6329 Link Image
PubChem Substance 3518 Link Image
ChEBI ID 16830 Link Image
PharmGKB ID Not Available
HET ID NME Link Image
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/Methylamine Link Image
FDA Label Not Available
Material Safety Data Sheet (MSDS) Not Available
Synthesis Reference Not Available
Average Molecular Weight 31.0571
Monoisotopic Molecular Weight 31.0422
State Solid
Melting Point -93.4 oC
Experimental Water Solubility 1080 mg/mL at 25 oC [SCHWEIZER,AE et al. (1978)] Source: PhysProp
Predicted Water Solubility 3.67e+02 mg/mL Calculated using ALOGPS
Experimental LogP/Hydrophobicity -0.57 [HANSCH,C ET AL. (1995)] Source: PhysProp
Predicted LogP -1.05 Calculated using ALOGPS
Experimental LogS Not Available
Predicted LogS 1.07 Calculated using ALOGPS
Experimental Caco2 Permeability Not Available
pKa/Isoelectric Point Not Available
Mass Spectrum Not Available
MOL File Show Link Image | Download Link Image
SDF File Show Link Image | Download Link Image
PDB File Show Link Image | Download Link Image
2D Structure
3D Structure
Experimental PDB ID 1U7C Link Image
Experimental PDB File Show
Experimental PDB Structure
Isomeric SMILES CN
Canonical SMILES CN
Drug Category Not Available
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
  1. Wikipedia Link Image
Organisms Affected Not Available
Targets
  1. Ammonia channel
Drug Target 1 [top]
Target 1 ID 2447
Target 1 Name Ammonia channel
Target 1 Synonyms
  1. Ammonia channel precursor
  2. Ammonia transporter
Target 1 Gene Name amtB
Target 1 Protein Sequence >Ammonia channel precursor 
MKIATIKTGLASLAMLPGLVMAAPAVADKADNAFMMICTALVLFMTIPGIALFYGGLIRG
KNVLSMLTQVTVTFALVCILWVVYGYSLAFGEGNNFFGNINWLMLKNIELTAVMGSIYQY
IHVAFQGSFACITVGLIVGALAERIRFSAVLIFVVVWLTLSYIPIAHMVWGGGLLASHGA
LDFAGGTVVHINAAIAGLVGAYLIGKRVGFGKEAFKPHNLPMVFTGTAILYIGWFGFNAG
SAGTANEIAALAFVNTVVATAAAILGWIFGEWALRGKPSLLGACSGAIAGLVGVTPACGY
IGVGGALIIGVVAGLAGLWGVTMLKRLLRVDDPCDVFGVHGVCGIVGCIMTGIFAASSLG
GVGFAEGVTMGHQLLVQLESIAITIVWSGVVAFIGYKLADLTVGLRVPEEQEREGLDVNS
HGENAYNA
Target 1 Number of Residues 435
Target 1 Molecular Weight 44515
Target 1 Theoretical pI 7.17
Target 1 GO Classification
Function
transporter activity
ion transporter activity
cation transporter activity
organic cation transporter activity
ammonium transporter activity
Process
physiological process
cellular physiological process
transport
Component
cell
membrane
Target 1 General Function Inorganic ion transport and metabolism
Target 1 Specific Function Involved in the uptake of ammonia
Target 1 Pathways Not Available
Target 1 Reactions Not Available
Target 1 Pfam Domain Function
Target 1 Signals
  • 1-22
Target 1 Transmembrane Regions
  • 29-55
  • 60-90
  • 119-141
  • 147-170
  • 185-203
  • 216-242
  • 246-275
  • 280-294
  • 303-328
  • 333-354
  • 370-402
Target 1 Essentiality Essential
Target 1 GenBank ID Protein 1103924 Link Image
Target 1 UniProtKB/Swiss-Prot ID P69681 Link Image
Target 1 UniProtKB/Swiss-Prot Entry Name AMTB_ECOLI Link Image
Target 1 PDB ID 1XQF Link Image
Target 1 PDB File Show
Target 1 3D Structure
Target 1 Cellular Location
  • Cell inner membrane
  • multi-pass membrane protein
Target 1 Gene Sequence >1287 bp 
ATGAAGATAGCGACGATAAAAACTGGGCTTGCTTCACTGGCGATGCTTCCGGGACTGGTA
ATGGCTGCACCTGCGGTGGCCGATAAAGCCGACAATGCGTTTATGATGATTTGTACTGCG
CTGGTGCTGTTTATGACTATTCCGGGGATTGCCCTGTTTTACGGTGGGTTGATTCGCGGC
AAAAACGTGCTGTCGATGCTGACGCAGGTGACGGTGACATTTGCACTGGTCTGTATTCTC
TGGGTGGTTTACGGTTACTCGCTGGCGTTTGGTGAGGGCAACAACTTCTTCGGCAACATT
AACTGGTTGATGCTGAAAAACATCGAACTGACGGCGGTGATGGGCAGCATTTATCAGTAT
ATCCACGTGGCGTTTCAGGGATCGTTTGCCTGCATTACCGTCGGCTTGATAGTTGGGGCG
CTGGCGGAACGAATCCGCTTCTCAGCTGTGTTGATTTTCGTGGTGGTATGGCTGACGCTC
TCTTACATTCCGATTGCGCATATGGTGTGGGGCGGTGGTTTGCTGGCTTCTCACGGTGCG
CTGGATTTCGCGGGTGGCACCGTGGTGCACATTAACGCCGCAATCGCCGGTCTGGTGGGC
GCGTATCTGATAGGAAAACGCGTGGGCTTCGGTAAAGAGGCGTTTAAACCGCACAACCTG
CCGATGGTCTTCACCGGGACTGCCATTCTCTATATCGGTTGGTTTGGCTTTAACGCCGGG
TCAGCGGGCACGGCGAATGAAATCGCGGCACTGGCATTTGTGAATACTGTGGTCGCAACG
GCGGCGGCAATTCTTGGCTGGATCTTCGGTGAATGGGCGCTGCGTGGTAAGCCTTCACTG
CTGGGGGCGTGTTCTGGCGCGATTGCCGGTCTGGTCGGCGTGACGCCAGCCTGCGGCTAC
ATTGGGGTTGGCGGCGCGTTGATTATCGGCGTGGTAGCTGGTCTGGCGGGCTTGTGGGGC
GTTACCATGCTCAAACGCTTGCTGCGGGTGGATGATCCCTGCGATGTCTTCGGTGTGCAC
GGCGTTTGTGGCATTGTCGGCTGTATCATGACCGGGATTTTTGCCGCCAGCTCGCTGGGC
GGCGTGGGCTTCGCTGAAGGTGTGACGATGGGCCATCAGTTGCTGGTACAGCTGGAAAGC
ATCGCCATTACGATCGTCTGGTCCGGTGTTGTGGCATTTATCGGCTACAAATTGGCGGAT
CTGACGGTTGGTCTGCGTGTACCGGAAGAGCAGGAGCGAGAAGGGCTGGATGTCAACAGC
CACGGCGAGAATGCCTATAACGCGTAA
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 SNPJam Report Link Image
Target 1 General References
  1. Thomas G, Coutts G, Merrick M: The glnKamtB operon. A conserved gene pair in prokaryotes. Trends Genet. 2000 Jan;16(1):11-4. [PubMed Link Image]
  2. Thomas GH, Mullins JG, Merrick M: Membrane topology of the Mep/Amt family of ammonium transporters. Mol Microbiol. 2000 Jul;37(2):331-44. [PubMed Link Image]
  3. Naggert J, Narasimhan ML, DeVeaux L, Cho H, Randhawa ZI, Cronan JE Jr, Green BN, Smith S: Cloning, sequencing, and characterization of Escherichia coli thioesterase II. J Biol Chem. 1991 Jun 15;266(17):11044-50. [PubMed Link Image]
  4. Borodovsky M, Rudd KE, Koonin EV: Intrinsic and extrinsic approaches for detecting genes in a bacterial genome. Nucleic Acids Res. 1994 Nov 11;22(22):4756-67. [PubMed Link Image]
  5. Blattner FR, Plunkett G 3rd, Bloch CA, Perna NT, Burland V, Riley M, Collado-Vides J, Glasner JD, Rode CK, Mayhew GF, Gregor J, Davis NW, Kirkpatrick HA, Goeden MA, Rose DJ, Mau B, Shao Y: The complete genome sequence of Escherichia coli K-12. Science. 1997 Sep 5;277(5331):1453-74. [PubMed Link Image]
Target 1 Drug References
  1. 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 Link Image]
  2. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [PubMed Link Image]

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.