Molecule Details
| InChIKey | PPLPLBVUEJOBPI-QZCIJFHVSA-N |
|---|---|
| Compound Name | (4S)-4-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-4-amino-4-oxo-2-[4-[(4-phenoxyphenyl)sulfonylamino]butanoylamino]butanoyl]amino]-3-carboxypropanoyl]amino]butanoyl]amino]-4-methylpentanoyl]-methylamino]-5-[(2S)-2-(2-amino-2-oxoethyl)pyrrolidin-1-yl]-5-oxopentanoic acid |
| Canonical SMILES | CC(C)C[C@H](NC(=O)[C@H](CCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)CCCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)N(C)[C@@H](CCC(=O)O)C(=O)N1CCC[C@H]1CC(N)=O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.3 |
| Source | ChEMBL |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P08253 | MMP2 | Homo sapiens | Human | PF00040 PF00045 PF00413 | 10.2 | IC50 | ChEMBL |
| P45452 | MMP13 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 6.4 | IC50 | ChEMBL |
| P39900 | MMP12 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 6.3 | IC50 | ChEMBL |
| P50281 | MMP14 | Homo sapiens | Human | PF11857 PF00045 PF00413 PF01471 | 6.3 | IC50 | ChEMBL |