Attributes
UniProt ID
Protein Name
n/a
Ligand Name
3-[3-(acetyl{[(1R,2R,3S,4R)-4-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-2,3-dihydroxycyclopentyl]methyl}amino)prop-1-yn-1-yl]benzamide
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
AHVJTPYPUIHNLS-WLRLJWMZSA-N
SMILES
CC(=O)N(CC#Cc1cccc(c1)C(=O)N)CC2CC(C(C2O)O)n3ccc4c3ncnc4Cl
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
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Structure: 7RKK
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Color Legend
Unassigned regionsLigand / hetero atomse7rkkA1e7rkkB1
ECOD domains from experimental PDB structures interacting with ligand 5R4