Molecule Details
| InChIKey | DGGAFLMUGXDMNX-NHRYRXKOSA-N |
|---|---|
| Compound Name | Ac-Ile-Trp-Ile-Ala-Gln-Glu-Leu-Arg-Arg-Ile-Gly-Asp-Glu-Phe-Asn-Ala-Tyr-Tyr-Ala-Arg-Arg-NH2 |
| Canonical SMILES | CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)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)[C@@H](C)CC)[C@@H](C)CC |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 8.16 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q07817 | BCL2L1 | Homo sapiens | Human | PF00452 PF02180 | 10.1 | Ki | ChEMBL |
| P10415 | BCL2 | Homo sapiens | Human | PF00452 PF02180 | 7.8 | Ki | ChEMBL |
| Q16548 | BCL2A1 | Homo sapiens | Human | PF00452 | 7.5 | IC50 | ChEMBL;BindingDB |
| Q07820 | MCL1 | Homo sapiens | Human | PF00452 | 7.3 | IC50 | ChEMBL;BindingDB |