Attributes
UniProt ID
Protein Name
UDP-N-acetylmuramate--L-alanine ligase
Ligand Name
(2R)-2-({4-[(5-tert-butyl-1-methyl-1H-pyrazol-3-yl)amino]-1H-pyrazolo[3,4-d]pyrimidin-6-yl}amino)-2-phenylethyl (2-aminoethyl)carbamate
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
RUTNTFGYZLRUQX-KRWDZBQOSA-N
SMILES
CC(C)(C)c1cc(nn1C)Nc2c3cn[nH]c3nc(n2)NC(COC(=O)NCCN)c4ccccc4
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
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Structure: 8EGM
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Color Legend
Unassigned regionsLigand / hetero atomse8egmA1e8egmA2e8egmB1e8egmB2e8egmC1e8egmC2e8egmD1e8egmD2e8egmE1e8egmE2e8egmF1e8egmF2e8egmG1e8egmG2e8egmH1e8egmH2
ECOD domains from experimental PDB structures interacting with ligand WIU
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| Q9HW02 | n/a | WIU | 8egm | e8egmA2 | A:105-319 |
| Q9HW02 | n/a | WIU | 8egm | e8egmB2 | B:105-319 |
| Q9HW02 | n/a | WIU | 8egm | e8egmC1 | C:105-319 |
| Q9HW02 | n/a | WIU | 8egm | e8egmD2 | D:105-319 |
| Q9HW02 | n/a | WIU | 8egm | e8egmE2 | E:105-319 |
| Q9HW02 | n/a | WIU | 8egm | e8egmF2 | F:105-319 |
| Q9HW02 | n/a | WIU | 8egm | e8egmG1 | G:105-319 |
| Q9HW02 | n/a | WIU | 8egm | e8egmH2 | H:105-319 |