Ligand Download |
||
Ligand Name: 2-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}-N,N,N-trimethylethanaminium | ||
HET ID: ML3 | PubChem: 49867315 | |
DrugBank: - | ChEMBL: CHEMBL1234352 | |
Canonical SMILES: OC(=O)[C@H](CSCC[N+](C)(C)C)N | ||
Standard InChI: InChI=1S/C8H18N2O2S/c1-10(2,3)4-5-13-6-7(9)8(11)12/h7H,4-6,9H2,1-3H3/p+1/t7-/m0/s1 | ||
Molecular Formula: C8H19N2O2S+ | Mol. Weight: 207.31366 | Heavy Atoms: 13 |
Charge: 1 | Is Chiral: True | logP: 0.538 |
HBD: 2 | HBA: 4 | TPSA: 88.62 |
#Bonds: 13 | #Rotatable Bonds: 6 | Shape Complexity: 0.875 |
Stereocomplexity: 0.125 |
Bound Proteins |
Protein Name | Uniprot ID/ACC | Organism | PDB ID | Binding Affinity | Binding Database | Complex Card |
Nucleosome-remodeling factor subunit BPTF | Q12830 (BPTF_HUMAN) | Homo sapiens | 6AZE |
- |
- |
SHOW |