Attributes
UniProt ID
Protein Name
Protein smoothened
Ligand Name
N-methyl-N-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-4-nitro-2-(trifluoromethyl)benzamide
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
ZDEZQXNVPSUJHK-UHFFFAOYSA-N
SMILES
Cn1c(ccn1)c2c3ccccc3c(nn2)N4CCC(CC4)N(C)C(=O)c5ccc(cc5C(F)(F)F)[N+](=O)[O-]
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
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Structure: 5V56
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Color Legend
Unassigned regionsLigand / hetero atomse5v56A1e5v56A2e5v56A3e5v56B1e5v56B2e5v56B3
ECOD domains from experimental PDB structures interacting with ligand 836
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| Q99835 | n/a | 836 | 5v56 | e5v56A2 | A:431-1137 |
| Q99835 | n/a | 836 | 5v56 | e5v56A3 | A:188-430,A:444-553 |
| Q99835 | n/a | 836 | 5v56 | e5v56B1 | B:431-1137 |
| Q99835 | n/a | 836 | 5v56 | e5v56B3 | B:188-430,B:444-561 |
| Q99835 | n/a | 836 | 5v57 | e5v57A2 | A:188-430,A:444-565 |
| Q99835 | n/a | 836 | 5v57 | e5v57A3 | A:431-1137 |
| Q99835 | n/a | 836 | 5v57 | e5v57B1 | B:431-1137 |
| Q99835 | n/a | 836 | 5v57 | e5v57B2 | B:188-430,B:444-561 |