QuantumLead homepage Services

You have accessed back-upped version of our site. Please reffer to new home page for a more up-to-date information.

Quantum pKa calculation module

QUANTUM pKa module identifies all possible ionized species of a given small molecule and calculates their concentration in the whole range of pH (from 0 to 14). Quantum ionization constant prediction technology is applicable to any molecular structure. You can order pka research services based on protein structure indicated below or purchase Quantum software to do research in-house:


PDB ID: 1YDT

Title: STRUCTURE OF CAMP-DEPENDENT PROTEIN KINASE, ALPHA-CATALYTIC SUBUNIT IN COMPLEX WITH H89 PROTEIN KINASE INHIBITOR N-[2-(4-BROMOCINNAMYLAMINO)ETHYL]-5-ISOQUINOLINE

Functional Class: Complex (phosphotransferase/inhibitor)

Primary citation: Engh, R.A.,Girod, A.,Kinzel, V.,Huber, R.,Bossemeyer, D. Crystal structures of catalytic subunit of cAMP-dependent protein kinase in complex with isoquinolinesulfonyl protein kinase inhibitors H7, H8, and H89. Structural implications for selectivity. J.Biol.Chem. v271 pp.26157-26164, 1996

Abstract Title: Crystal structures of catalytic subunit of cAMP-dependent protein kinase in complex with isoquinolinesulfonyl protein kinase inhibitors H7, H8, and H89. Structural implications for selectivity.

Keywords: (pk-like), 1-(5-isoquinolinesulfonyl)-2-methylpiperazine, Inhibitors, Kinases, Sandwich, Peptide, Catalytic, Kinase, Kinases,, 1ydte2, 1ydte1, Protein, Sulfonamides, Phosphorylase, Non-u.s., Research, Kinase;, Proteins, Phosphorylation, (bos, Activity, Protein, Domain, Binding, Sulfonamide, Kinase, Camp-dependent, Amp-dependent, Acid, Serine/threonine, N-[2-(4-bromocinnamylamino)ethyl]-5-isoquinoline, Transferase(phosphotransferase);, D1ydte_, Phosphoserine, Inhibitor, (1ydt:i), Bovine, Gov't, X-ray, Synthetic, Phosphothreonine, Support, Kinase, Bundle, Amino, Kinase-like, (a+b), Conformation, Construct, Beta, Myosin-light-chain, Animals, 2-layer, Mainly, Taurus), Crystallography, (1ydt:e), Isoquinolines, Binding, Sites, Transferase(phosphotransferase), Enzyme, Gmp-dependent, Protein, Orthogonal, Alpha, Subunit, Casein, Taurus, Beta, Cyclic, Glycine, C-amp-dependent, Protein-serine-threonine, Cattle, Pka shift, Prediction of microscopic dissociation constant, Software for calculation of microscopic dissociation constant, Pka database, Software for prediction of microscopic dissociation constant, Pka calculator, Fully ionize in solution, Ionization potential, Calculation of macroscopic dissociation constant, Prediction of macroscopic dissociation constant, Pka inhibitors, Knowledge databases, Ionization constant ka, Chemical ionization, Decay constant, Software for calculation of macroscopic dissociation constant, Software for prediction of macroscopic dissociation constant, Calculation of macroscopic dissociation constant, Prediction of macroscopic dissociation constant, Software for calculation of macroscopic dissociation constant, Software for prediction of macroscopic dissociation constant, Pka dissociation, Base ionization constants, Ionization constant for, Predict ionization constant, Acid-base dissociation constant, Predicted pka, |experimental pka, Electron ionization, Water constant, Calculation software and services, Predict ionization constant, Acid-base dissociation constant, Pka ph, Experimental pka, ,


 
Quantum Pharmaceuticals
 

Design by Netrider.ru 2004 (c) Quantum Pharmaceuticals 2004-2008 Computer Aided Drug Design & ADMET