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Showing drug card for Dansylamide (DB02866)

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Version 2.5
Creation Date 2005-06-13 13:24:05
Update Date 2008-08-26 14:42:56
Primary Accession Number DB02866
Secondary Accession Number
  • EXPT02203
Name Dansylamide
Drug Type
  • Experimental
  • Small Molecule
Description Not Available
Synonyms Not Available
Brand Names Not Available
Brand Mixtures Not Available
Chemical IUPAC Name 5-dimethylaminonaphthalene-1-sulfonamide
Chemical Formula C12H14N2O2S
Chemical Structure Structure
CAS Registry Number Not Available
InChI Identifier InChI=1/C12H14N2O2S/c1-14(2)11-7-3-6-10-9(11)5-4-8-12(10)17(13,15)16/h3-8H,1-2H3,(H2,13,15,16)/f/h13H2
InChI Key TYNBFJJKZPTRKS-DLGLGFIGCN
KEGG Drug Not Available
KEGG Compound Not Available
PubChem Compound 65077 Link Image
PubChem Substance 7888970 Link Image
ChEBI ID Not Available
PharmGKB ID Not Available
HET ID MNS Link Image
GenBank ID Not Available
Drug ID Number [DIN] Not Available
RxList Link Not Available
PDRhealth Link Not Available
Wikipedia Link Not Available
FDA Label Not Available
Material Safety Data Sheet (MSDS) Not Available
Synthesis Reference Not Available
Average Molecular Weight 250.3170
Monoisotopic Molecular Weight 250.0776
State Solid
Melting Point Not Available
Experimental Water Solubility Not Available Source: PhysProp
Predicted Water Solubility 2.12e-01 mg/mL Calculated using ALOGPS
Experimental LogP/Hydrophobicity Not Available Source: PhysProp
Predicted LogP 1.92 Calculated using ALOGPS
Experimental LogS Not Available
Predicted LogS -3.07 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 1OKL Link Image
Experimental PDB File Show
Experimental PDB Structure
Isomeric SMILES CN(C)C1=CC=CC2=C1C=CC=C2S(N)(=O)=O
Canonical SMILES CN(C)C1=CC=CC2=C1C=CC=C2S(N)(=O)=O
Drug Category
  • Fluorescent Dyes
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 Not Available
Organisms Affected Not Available
Targets
  1. Carbonic anhydrase 2
Drug Target 1 [top]
Target 1 ID 357
Target 1 Name Carbonic anhydrase 2
Target 1 Synonyms
  1. CA-II
  2. Carbonate dehydratase II
  3. Carbonic anhydrase C
  4. Carbonic anhydrase II
  5. EC 4.2.1.1
Target 1 Gene Name CA2
Target 1 Protein Sequence >Carbonic anhydrase 2 
SHHWGYGKHNGPEHWHKDFPIAKGERQSPVDIDTHTAKYDPSLKPLSVSYDQATSLRILN
NGHAFNVEFDDSQDKAVLKGGPLDGTYRLIQFHFHWGSLDGQGSEHTVDKKKYAAELHLV
HWNTKYGDFGKAVQQPDGLAVLGIFLKVGSAKPGLQKVVDVLDSIKTKGKSADFTNFDPR
GLLPESLDYWTYPGSLTTPPLLECVTWIVLKEPISVSSEQVLKFRKLNFNGEGEPEELMV
DNWRPAQPLKNRQIKASFK
Target 1 Number of Residues 263
Target 1 Molecular Weight 29115
Target 1 Theoretical pI 7.47
Target 1 GO Classification
Function
binding
ion binding
cation binding
transition metal ion binding
zinc ion binding
catalytic activity
lyase activity
carbon-oxygen lyase activity
hydro-lyase activity
carbonate dehydratase activity
Process
physiological process
metabolism
cellular metabolism
one-carbon compound metabolism
Component
Not Available
Target 1 General Function Inorganic ion transport and metabolism
Target 1 Specific Function Reversible hydration of carbon dioxide
Target 1 Pathways
Name SMPDB Link KEGG Link
Nitrogen metabolism map00910 Link Image
Target 1 Reactions
  • H2CO3 = CO2 + H2O
Target 1 Pfam Domain Function
Target 1 Signals
  • None
Target 1 Transmembrane Regions
  • None
Target 1 Essentiality Non-Essential
Target 1 GenBank ID Protein 179780 Link Image
Target 1 UniProtKB/Swiss-Prot ID P00918 Link Image
Target 1 UniProtKB/Swiss-Prot Entry Name CAH2_HUMAN Link Image
Target 1 PDB ID 1T9N Link Image
Target 1 PDB File Show
Target 1 3D Structure
Target 1 Cellular Location
  • Cytoplasm
Target 1 Gene Sequence >783 bp 
ATGTCCCATCACTGGGGGTACGGCAAACACAACGGACCTGAGCACTGGCATAAGGACTTC
CCCATTGCCAAGGGAGAGCGCCAGTCCCCTGTTGACATCGACACTCATACAGCCAAGTAT
GACCCTTCCCTGAAGCCCCTGTCTGTTTCCTATGATCAAGCAACTTCCCTGAGGATCCTC
AACAATGGTCATGCTTTCAACGTGGAGTTTGATGACTCTCAGGACAAAGCAGTGCTCAAG
GGAGGACCCCTGGATGGCACTTACAGATTGATTCAGTTTCACTTTCACTGGGGTTCACTT
GATGGACAAGGTTCAGAGCATACTGTGGATAAAAAGAAATATGCTGCAGAACTTCACTTG
GTTCACTGGAACACCAAATATGGGGATTTTGGGAAAGCTGTGCAGCAACCTGATGGACTG
GCCGTTCTAGGTATTTTTTTGAAGGTTGGCAGCGCTAAACCGGGCCTTCAGAAAGTTGTT
GATGTGCTGGATTCCATTAAAACAAAGGGCAAGAGTGCTGACTTCACTAACTTCGATCCT
CGTGGCCTCCTTCCTGAATCCTTGGATTACTGGACCTACCCAGGCTCACTGACCACCCCT
CCTCTTCTGGAATGTGTGACCTGGATTGTGCTCAAGGAACCCATCAGCGTCAGCAGCGAG
CAGGTGTTGAAATTCCGTAAACTTAACTTCAATGGGGAGGGTGAACCCGAAGAACTGATG
GTGGACAACTGGCGCCCAGCTCAGCCACTGAAGAACAGGCAAATCAAAGCTTCCTTCAAA
TAA
Target 1 GenBank Gene ID
Target 1 GeneCard ID CA2 Link Image
Target 1 GenAtlas ID CA2 Link Image
Target 1 HGNC ID HGNC:1373 Link Image
Target 1 Chromosome Location 8
Target 1 Locus 8q22
Target 1 SNPs SNPJam Report Link Image
Target 1 General References
  1. Cox JD, Hunt JA, Compher KM, Fierke CA, Christianson DW: Structural influence of hydrophobic core residues on metal binding and specificity in carbonic anhydrase II. Biochemistry. 2000 Nov 14;39(45):13687-94. [PubMed Link Image]
  2. Roth DE, Venta PJ, Tashian RE, Sly WS: Molecular basis of human carbonic anhydrase II deficiency. Proc Natl Acad Sci U S A. 1992 Mar 1;89(5):1804-8. [PubMed Link Image]
  3. Venta PJ, Welty RJ, Johnson TM, Sly WS, Tashian RE: Carbonic anhydrase II deficiency syndrome in a Belgian family is caused by a point mutation at an invariant histidine residue (107 His----Tyr): complete structure of the normal human CA II gene. Am J Hum Genet. 1991 Nov;49(5):1082-90. [PubMed Link Image]
  4. Venta PJ, Montgomery JC, Hewett-Emmett D, Tashian RE: Comparison of the 5' regions of human and mouse carbonic anhydrase II genes and identification of possible regulatory elements. Biochim Biophys Acta. 1985 Dec 18;826(4):195-201. [PubMed Link Image]
  5. Montgomery JC, Venta PJ, Tashian RE, Hewett-Emmett D: Nucleotide sequence of human liver carbonic anhydrase II cDNA. Nucleic Acids Res. 1987 Jun 11;15(11):4687. [PubMed Link Image]
  6. Murakami H, Marelich GP, Grubb JH, Kyle JW, Sly WS: Cloning, expression, and sequence homologies of cDNA for human carbonic anhydrase II. Genomics. 1987 Oct;1(2):159-66. [PubMed Link Image]
  7. Eriksson AE, Jones TA, Liljas A: Refined structure of human carbonic anhydrase II at 2.0 A resolution. Proteins. 1988;4(4):274-82. [PubMed Link Image]
  8. Eriksson AE, Kylsten PM, Jones TA, Liljas A: Crystallographic studies of inhibitor binding sites in human carbonic anhydrase II: a pentacoordinated binding of the SCN- ion to the zinc at high pH. Proteins. 1988;4(4):283-93. [PubMed Link Image]
  9. Lin KT, Deutsch HF: Human carbonic anhydrases. XII. The complete primary structure of the C isozyme. J Biol Chem. 1974 Apr 25;249(8):2329-37. [PubMed Link Image]
  10. Liljas A, Kannan KK, Bergsten PC, Waara I, Fridborg K, Strandberg B, Carlbom U, Jarup L, Lovgren S, Petef M: Crystal structure of human carbonic anhydrase C. Nat New Biol. 1972 Feb 2;235(57):131-7. [PubMed Link Image]
  11. 6407977 Jones GL, Shaw DC: A chemical and enzymological comparison of the common major human erythrocyte carbonic anhydrase II, its minor component, and a new genetic variant, CA II Melbourne (237 Pro leads to His). Hum Genet. 1983;63(4):392-9.
  12. 6817747 Jones GL, Sofro AS, Shaw DC: Chemical and enzymological characterization of an Indonesian variant of human erythrocyte carbonic anhydrase II, CAII Jogjakarta (17 Lys leads to Glu). Biochem Genet. 1982 Oct;20(9-10):979-1000.
  13. 823150 Henderson LE, Henriksson D, Nyman PO: Primary structure of human carbonic anhydrase C. J Biol Chem. 1976 Sep 25;251(18):5457-63.
  14. 8834238 Soda H, Yukizane S, Yoshida I, Koga Y, Aramaki S, Kato H: A point mutation in exon 3 (His 107-->Tyr) in two unrelated Japanese patients with carbonic anhydrase II deficiency with central nervous system involvement. Hum Genet. 1996 Apr;97(4):435-7.
  15. 9143915 Hu PY, Lim EJ, Ciccolella J, Strisciuglio P, Sly WS: Seven novel mutations in carbonic anhydrase II deficiency syndrome identified by SSCP and direct sequencing analysis. Hum Mutat. 1997;9(5):383-7.
  16. 9541386 Stams T, Chen Y, Boriack-Sjodin PA, Hurt JD, Liao J, May JA, Dean T, Laipis P, Silverman DN, Christianson DW: Structures of murine carbonic anhydrase IV and human carbonic anhydrase II complexed with brinzolamide: molecular basis of isozyme-drug discrimination. Protein Sci. 1998 Mar;7(3):556-63.
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.