8CNH
Crystal structure of human soluble adenylyl cyclase (sAC) in complex with inhibitor TDI-10512
Summary for 8CNH
Entry DOI | 10.2210/pdb8cnh/pdb |
Descriptor | Adenylate cyclase type 10, methyl 2-[[3-(2-azanyl-6-chloranyl-pyrimidin-4-yl)-1-methyl-pyrazol-4-yl]methyl]benzoate, DIMETHYL SULFOXIDE, ... (6 entities in total) |
Functional Keywords | camp, adenylyl cyclase, inhibitor, catalytic domain, signaling protein |
Biological source | Homo sapiens (human) |
Total number of polymer chains | 1 |
Total formula weight | 55635.78 |
Authors | Steegborn, C. (deposition date: 2023-02-23, release date: 2023-04-26, Last modification date: 2023-05-17) |
Primary citation | Sun, S.,Fushimi, M.,Rossetti, T.,Kaur, N.,Ferreira, J.,Miller, M.,Quast, J.,van den Heuvel, J.,Steegborn, C.,Levin, L.R.,Buck, J.,Myers, R.W.,Kargman, S.,Liverton, N.,Meinke, P.T.,Huggins, D.J. Scaffold Hopping and Optimization of Small Molecule Soluble Adenyl Cyclase Inhibitors Led by Free Energy Perturbation. J.Chem.Inf.Model., 63:2828-2841, 2023 Cited by PubMed: 37060320DOI: 10.1021/acs.jcim.2c01577 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2 Å) |
Structure validation
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