Attributes
UniProt ID
Protein Name
deleted
Ligand Name
N-{4-[(2-amino-4-hydroxy-7H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzoyl}-L-glutamic acid
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
VDHBMZRBPMTLGE-LBPRGKRZSA-N
SMILES
c1cc(ccc1Cc2c[nH]c3c2c(nc(n3)N)O)C(=O)NC(CCC(=O)O)C(=O)O
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
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Structure: 4Q0D
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Color Legend
Unassigned regionsLigand / hetero atomse4q0dA1e4q0dA2e4q0dB1e4q0dB2e4q0dC1e4q0dC2e4q0dD1e4q0dD2e4q0dE1e4q0dE2
ECOD domains from experimental PDB structures interacting with ligand 2XB
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| Q5CGA3 | n/a | 2XB | 4q0d | e4q0dA2 | A:193-521 |
| Q5CGA3 | n/a | 2XB | 4q0d | e4q0dB2 | B:193-521 |
| Q5CGA3 | n/a | 2XB | 4q0d | e4q0dC2 | C:193-521 |
| Q5CGA3 | n/a | 2XB | 4q0d | e4q0dD2 | D:193-521 |
| Q5CGA3 | n/a | 2XB | 4q0d | e4q0dE2 | E:193-521 |
| Q5CGA3 | n/a | 2XB | 4q0e | e4q0eA1 | A:3-181 |
| Q5CGA3 | n/a | 2XB | 4q0e | e4q0eB3 | B:3-184 |
| Q5CGA3 | n/a | 2XB | 4q0e | e4q0eC3 | C:3-184 |
| Q5CGA3 | n/a | 2XB | 4q0e | e4q0eD1 | D:3-181 |
| Q5CGA3 | n/a | 2XB | 4q0e | e4q0eE1 | E:3-181 |