Attributes
UniProt ID
Protein Name
glycine hydroxymethyltransferase
Ligand Name
(4~{S})-6-azanyl-3-methyl-4-[3-[4-(phenylmethyl)sulfonylphenyl]-5-(trifluoromethyl)phenyl]-4-propan-2-yl-2~{H}-pyrano[2 ,3-c]pyrazole-5-carbonitrile
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
PGTUNNBRJSLXTJ-PMERELPUSA-N
SMILES
Cc1c2c(n[nH]1)OC(=C(C2(c3cc(cc(c3)C(F)(F)F)c4ccc(cc4)S(=O)(=O)Cc5ccccc5)C(C)C)C#N)N
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
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Structure: 5XMR
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Color Legend
Unassigned regionsLigand / hetero atomse5xmrA1e5xmrA2e5xmrB1e5xmrB2e5xmrC1e5xmrC2
ECOD domains from experimental PDB structures interacting with ligand 8AO
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| A0A1G4H5I1 | n/a | 8AO | 5xmr | e5xmrA1 | A:289-442 |
| A0A1G4H5I1 | n/a | 8AO | 5xmr | e5xmrA2 | A:1-288 |
| A0A1G4H5I1 | n/a | 8AO | 5xmr | e5xmrB1 | B:289-442 |
| A0A1G4H5I1 | n/a | 8AO | 5xmr | e5xmrB2 | B:1-288 |
| A0A1G4H5I1 | n/a | 8AO | 5xmr | e5xmrC1 | C:289-442 |
| A0A1G4H5I1 | n/a | 8AO | 5xmr | e5xmrC2 | C:1-288 |