Attributes
UniProt ID
Protein Name
Putative crotonyl-CoA reductase
Ligand Name
~{S}-[2-[3-[[(2~{R})-4-[[[(2~{S},3~{R},4~{S},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] butanethioate
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
CRFNGMNYKDXRTN-JSFVJHESSA-N
SMILES
CCCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
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Structure: 6NA4
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Color Legend
Unassigned regionsLigand / hetero atomse6na4A1e6na4A2e6na4B1e6na4B2e6na4C1e6na4C2e6na4D1e6na4D2
ECOD domains from experimental PDB structures interacting with ligand YAS
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| E4N096 | n/a | YAS | 6na4 | e6na4A1 | A:227-277,A:297-404 |
| E4N096 | n/a | YAS | 6na4 | e6na4A2 | A:-1-233,A:405-444 |
| E4N096 | n/a | YAS | 6na4 | e6na4B1 | B:227-277,B:297-404 |
| E4N096 | n/a | YAS | 6na4 | e6na4B2 | B:-3-233,B:405-444 |
| E4N096 | n/a | YAS | 6na4 | e6na4C1 | C:227-277,C:297-404 |
| E4N096 | n/a | YAS | 6na4 | e6na4D2 | D:227-277,D:297-404 |