Ligand

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Ligand Name:   4-(trifluoromethyl)pyrimidin-2-amine
HET ID:   PW7 PubChem:   595915
DrugBank:   - ChEMBL:   -
Canonical SMILES:   Nc1nccc(n1)C(F)(F)F
Standard InChI:   InChI=1S/C5H4F3N3/c6-5(7,8)3-1-2-10-4(9)11-3/h1-2H,(H2,9,10,11)
Molecular Formula:   C5H4F3N3 Mol. Weight:   163.10057 Heavy Atoms:   11
Charge:   0 Is Chiral:   False logP:   1.6588
HBD:   1 HBA:   3 TPSA:   51.8
#Bonds:   11 #Rotatable Bonds:   1 Shape Complexity:   0.2
Stereocomplexity:   0.0
Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID Binding Affinity Binding Database Complex Card
ADP-sugar pyrophosphatase Q9UKK9 (NUDT5_HUMAN) Homo sapiens 5QTL
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