Ligand |
||
Ligand Name: TL10-105 | ||
Ligand Type: non-polymer | ||
Ligand ID: COVPDB1190 | PubChem: - | |
Synonym(s): - | ||
DrugBank: - | ChEMBL: - | |
Canonical SMILES: CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4ccnc(N[C@H]5CCN(C5)C(=O)C=C)n4)c3)cc2C(F)(F)F)CC1 | ||
Standard InChI: InChI=1S/C33H38F3N7O3/c1-4-30(44)43-13-11-26(21-43)39-32-37-12-10-29(40-32)46-28-18-23(7-6-22(28)3)31(45)38-25-9-8-24(27(19-25)33(34,35)36)20-42-16-14-41(5-2)15-17-42/h4,6-10,12,18-19,26H,1,5,11,13-17,20-21H2,2-3H3,(H,38,45)(H,37,39,40)/t26-/m0/s1 | ||
Molecular Formula: C33H38F3N7O3 | Mol. Weight: 637.2988 | logP: 5.18472 |
HBD: 2 | HBA: 8 | |
#Rotatable Bonds: 10 | TPSA: 102.93 |
Bound Proteins |
Protein Name | Uniprot ID/ACC | Organism | PDB ID | HET Code | Binding Affinity | Binding Database | Complex Card |
Dual specificity mitogen-activated protein kinase kinase 7 | O14733 (MP2K7_HUMAN) | Homo sapiens (Human) | 6YG6 | OQ8 |
- |
- |
SHOW |