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TitleAntipsychotic phenothiazine drugs bind to KRAS in vitro.
Journal, issue, pagesJ. Biomol. Nmr, Vol. 75, Page 233-244, Year 2021
Publish dateJan 20, 2021 (structure data deposition date)
AuthorsWang, X. / Gorfe, A.A. / Putkey, J.A.
External linksJ. Biomol. Nmr / PubMed:34176062
MethodsNMR (solution)
Structure data

PDB-7lgi:
The haddock model of GDP KRas in complex with promazine using chemical shift perturbations and intermolecular NOEs
Method: SOLUTION NMR

PDB-7mqu:
The haddock model of GDP KRas in complex with promethazine using NMR chemical shift perturbations
Method: SOLUTION NMR

Chemicals

ChemComp-GDP:
GUANOSINE-5'-DIPHOSPHATE / GDP, energy-carrying molecule*YM

ChemComp-MG:
Unknown entry

ChemComp-P2Z:
Promazine

ChemComp-ZM7:
(2R)-N,N-dimethyl-1-(10H-phenothiazin-10-yl)propan-2-amine

Source
  • homo sapiens (human)
KeywordsHYDROLASE / GDP KRAS / SMALL MOLECULE LIGAND / HADDOCK STRUCTURE MODEL / CHEMICAL SHIFT CHANGES / INTERMOLECULAR NOE / HYDROLASE/HYDROLASE inhibitor / KRas / allosteric inhibitor / drug discovery / HADDOCK / HYDROLASE-HYDROLASE inhibitor complex

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