Ligand

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Ligand Name:   3-[(2~{R},5~{S})-2-(2,5-dimethylphenyl)-5-methyl-morpholin-4-yl]propane-1-sulfonamide
HET ID:   OXB PubChem:   98773219
DrugBank:   - ChEMBL:   -
Canonical SMILES:   Cc1ccc(c(c1)[C@H]1OC[C@@H](N(C1)CCCS(=O)(=O)N)C)C
Standard InChI:   InChI=1S/C16H26N2O3S/c1-12-5-6-13(2)15(9-12)16-10-18(14(3)11-21-16)7-4-8-22(17,19)20/h5-6,9,14,16H,4,7-8,10-11H2,1-3H3,(H2,17,19,20)/t14-,16-/m0/s1
Molecular Formula:   C16H26N2O3S Mol. Weight:   326.45425 Heavy Atoms:   22
Charge:   0 Is Chiral:   True logP:   3.4628
HBD:   1 HBA:   5 TPSA:   81.01
#Bonds:   25 #Rotatable Bonds:   5 Shape Complexity:   0.625
Stereocomplexity:   0.125
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 6YL9
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