Ligand

Download

Ligand Name:   3-[(2~{R})-5,5-dimethyl-2-phenyl-morpholin-4-yl]-~{N}-(methylcarbamoyl)propanamide
HET ID:   P0Z PubChem:   36689627
DrugBank:   - ChEMBL:   -
Canonical SMILES:   CC1(C)NC[C@H](OC1)c1ccccc1
Standard InChI:   InChI=1S/C12H17NO/c1-12(2)9-14-11(8-13-12)10-6-4-3-5-7-10/h3-7,11,13H,8-9H2,1-2H3/t11-/m0/s1
Molecular Formula:   C12H17NO Mol. Weight:   191.26949 Heavy Atoms:   14
Charge:   0 Is Chiral:   True logP:   2.4549
HBD:   1 HBA:   2 TPSA:   21.26
#Bonds:   16 #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 6YNL
-
-
SHOW