Attributes
UniProt ID
Protein Name
biotin-- ligase
Ligand Name
N-({[(1R,2S,3R,4R)-4-(6-amino-9H-purin-9-yl)-2,3-dihydroxycyclopentyl]methyl}sulfamoyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
HTTJGHVBXHXTNE-INFCYNJXSA-N
SMILES
c1nc(c2c(n1)n(cn2)C3CC(C(C3O)O)CNS(=O)(=O)NC(=O)CCCCC4C5C(CS4)NC(=O)N5)N
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
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Structure: 4XTU
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Color Legend
Unassigned regionsLigand / hetero atomse4xtuA1e4xtuA2e4xtuB1e4xtuB2
ECOD domains from experimental PDB structures interacting with ligand 44J
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| A0A045H8W3 | n/a | 44J | 4xtu | e4xtuA1 | A:209-266 |
| A0A045H8W3 | n/a | 44J | 4xtu | e4xtuA2 | A:1-208 |
| A0A045H8W3 | n/a | 44J | 4xtu | e4xtuB1 | B:209-266 |
| A0A045H8W3 | n/a | 44J | 4xtu | e4xtuB2 | B:4-208 |