Molecule Details
| InChIKey | VJDWIIQZOBSVKR-LCINXZLMSA-N |
|---|---|
| Compound Name | Ac-lambdaAQELR(Xi)IGD(Xi+4)FNAYYARR-NH2 |
| Canonical SMILES | C=CCCC[C@](C)(NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@](C)(CCCC=C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)C(CNC(=O)CCl)NC(C)=O)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.18 |
| Source | BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q16548 | BCL2A1 | Homo sapiens | Human | PF00452 | 7.9 | IC50 | BindingDB |
| Q07820 | MCL1 | Homo sapiens | Human | PF00452 | 7.5 | IC50 | BindingDB |
| P10415 | BCL2 | Homo sapiens | Human | PF00452 PF02180 | 6.7 | IC50 | BindingDB |
| Q07817 | BCL2L1 | Homo sapiens | Human | PF00452 PF02180 | 6.7 | IC50 | BindingDB |