Molecule Details
| InChIKey | UBFPRQOOAXMTBD-JQRIEUKHSA-N |
|---|---|
| Compound Name | H-Gly-Cys-Cys-Ser-Thr-Pro-Pro-Cys-Ala-Val-Leu-Tyr-Cys-Gly-Arg-Arg-Arg-al |
| Canonical SMILES | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)CN)[C@@H](C)O)C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](C=O)CCCN=C(N)N |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 6 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 8.82 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (6)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P17787 | CHRNB2 | Homo sapiens | Human | PF02931 PF02932 | 8.8 | IC50 | ChEMBL;BindingDB |
| P30926 | CHRNB4 | Homo sapiens | Human | PF02931 PF02932 | 8.8 | IC50 | ChEMBL |
| P32297 | CHRNA3 | Homo sapiens | Human | PF02931 PF02932 | 8.8 | IC50 | ChEMBL |
| P36544 | CHRNA7 | Homo sapiens | Human | PF02931 PF02932 | 8.8 | IC50 | ChEMBL;BindingDB |
| P43681 | CHRNA4 | Homo sapiens | Human | PF02931 PF02932 | 8.8 | IC50 | ChEMBL;BindingDB |
| Q15822 | CHRNA2 | Homo sapiens | Human | PF02931 PF02932 | 8.8 | IC50 | ChEMBL;BindingDB |