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Structure paper

TitlePharmacophore-Based Virtual Screening to Discover New Active Compounds for Human Choline Kinase Alpha1
Journal, issue, pagesMol Inform, Vol. 34, Page 458-, Year 2015
Publish dateJan 26, 2015 (structure data deposition date)
AuthorsSerran-Aguilera, L. / Nuti, R. / Lopez-Cara, L.C. / Gallo Mezo, M.A. / Macchiarulo, A. / Entrena, A. / Hurtado-Guerrero, R.
External linksMol Inform / PubMed:27490389
MethodsX-ray diffraction
Resolution2.25 Å
Structure data

PDB-5afv:
Pharmacophore-based virtual screening to discover new active compounds for human choline kinase alpha1.
Method: X-RAY DIFFRACTION / Resolution: 2.25 Å

Chemicals

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-JH5:
1-benzyl-4-(benzylamino)-1H-1,2,4-triazol-4-ium

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / VIRTUAL SCREENING / PHARMACOPHORE

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