Molecule Details
| InChIKey | KJKVPMRFUZKTEA-FPTHCTBMSA-N |
|---|---|
| Compound Name | Ac(1)-D-Tyr-Val-Tyr-Asn-Thr-Arg-Ser-Gly-Trp-Arg-Trp-Tyr-Thr-Cys(1)-NH2 |
| Canonical SMILES | CC(C)[C@@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.48 |
| Source | ChEMBL |
2D Structure
Activity Profile
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O75164 | KDM4A | Homo sapiens | Human | PF02373 PF02375 PF13831 PF18104 PF13832 | 7.5 | IC50 | ChEMBL |
| O94953 | KDM4B | Homo sapiens | Human | PF02373 PF02375 PF13831 PF18104 PF13832 | 7.5 | IC50 | ChEMBL |
| Q9H3R0 | KDM4C | Homo sapiens | Human | PF02373 PF02375 PF13831 PF18104 PF13832 | 7.5 | IC50 | ChEMBL |