Ligand

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Ligand Name:   (2~{R})-2-(3-fluorophenyl)-5,5-dimethyl-morpholine
HET ID:   OUQ PubChem:   93236558
DrugBank:   - ChEMBL:   -
Canonical SMILES:   Fc1cccc(c1)[C@@H]1CNC(CO1)(C)C
Standard InChI:   InChI=1S/C12H16FNO/c1-12(2)8-15-11(7-14-12)9-4-3-5-10(13)6-9/h3-6,11,14H,7-8H2,1-2H3/t11-/m0/s1
Molecular Formula:   C12H16FNO Mol. Weight:   209.25995 Heavy Atoms:   15
Charge:   0 Is Chiral:   True logP:   2.594
HBD:   1 HBA:   2 TPSA:   21.26
#Bonds:   17 #Rotatable Bonds:   1 Shape Complexity:   0.5
Stereocomplexity:   0.083333336
Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID Binding Affinity Binding Database Complex Card
YTH domain-containing protein 1 Q96MU7 (YTDC1_HUMAN) Homo sapiens 6YKE
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