Attributes
UniProt ID
Protein Name
Histone-lysine N-methyltransferase SETDB1
Ligand Name
2-[[(3~{R},5~{R})-1-methyl-5-(4-phenylmethoxyphenyl)piperidin-3-yl]amino]-3-prop-2-enyl-5~{H}-pyrrolo[3,2-d]pyrimidin-4-one
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
NBDJDKAXIGWAIM-XZOQPEGZSA-N
SMILES
CN1CC(CC(C1)NC2=Nc3cc[nH]c3C(=O)N2CC=C)c4ccc(cc4)OCc5ccccc5
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
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Structure: 7CJT
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Color Legend
Unassigned regionsLigand / hetero atomse7cjtA1e7cjtA2e7cjtA3e7cjtB1e7cjtB2e7cjtB3e7cjtC1e7cjtC2e7cjtC3e7cjtD1e7cjtD2e7cjtD3
ECOD domains from experimental PDB structures interacting with ligand G09
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| Q15047 | n/a | G09 | 7cjt | e7cjtA1 | A:192-250 |
| Q15047 | n/a | G09 | 7cjt | e7cjtA2 | A:251-346 |
| Q15047 | n/a | G09 | 7cjt | e7cjtA3 | A:347-403 |
| Q15047 | n/a | G09 | 7cjt | e7cjtB1 | B:251-346 |
| Q15047 | n/a | G09 | 7cjt | e7cjtB2 | B:347-403 |
| Q15047 | n/a | G09 | 7cjt | e7cjtB3 | B:189-250 |
| Q15047 | n/a | G09 | 7cjt | e7cjtC1 | C:189-250 |
| Q15047 | n/a | G09 | 7cjt | e7cjtC2 | C:251-346 |
| Q15047 | n/a | G09 | 7cjt | e7cjtC3 | C:347-403 |
| Q15047 | n/a | G09 | 7cjt | e7cjtD1 | D:192-250 |
| Q15047 | n/a | G09 | 7cjt | e7cjtD2 | D:347-403 |
| Q15047 | n/a | G09 | 7cjt | e7cjtD3 | D:251-346 |