Molecule Details
| InChIKey | XOPQWKKOVYFZNR-XNPSXLOZSA-N |
|---|---|
| Compound Name | H-DL-Val(3,4-dehydro)-Ala-Asn-Ser-Asn-Pro-Ala-Met-Ala-Pro-Arg-Glu-Arg-Lys-Ala-Gly-D-Cys(1)-D-Lys-Asn-D-Phe-Phe-D-Trp-Lys-D-aThr-D-Phe-Thr-D-Ser-D-Cys(1)-OH |
| Canonical SMILES | C=C(C)C(N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H]1CSSC[C@H](C(=O)O)NC(=O)[C@@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CCCCN)NC1=O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 8.47 |
| Source | BindingDB |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P30874 | SSTR2 | Homo sapiens | Human | PF00001 | 8.6 | IC50 | BindingDB |
| P35346 | SSTR5 | Homo sapiens | Human | PF00001 | 8.5 | IC50 | BindingDB |
| P31391 | SSTR4 | Homo sapiens | Human | PF00001 | 8.5 | IC50 | BindingDB |
| P30872 | SSTR1 | Homo sapiens | Human | PF00001 | 8.4 | IC50 | BindingDB |
| P32745 | SSTR3 | Homo sapiens | Human | PF00001 | 8.3 | IC50 | BindingDB |