Attributes
UniProt ID
Protein Name
Oxalyl-CoA decarboxylase
Ligand Name
3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-2-{(1R,11R,15S,17R)-19-[(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-4-HYDROXY-3-(PHOSPHONOOXY)TETRAHYDROFURAN-2-YL]-1,11,15,17-TETRAHYDROXY-12,12-DIMETHYL-15,17-DIOXIDO-6,10-DIOXO-14,16,18-TRIOXA-2-THIA-5,9-DIAZA-15,17-DIPHOSPHANONADEC-1-YL}-5-(2-{[(R)-HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}ETHYL)-4-METHYL-1,3-THIAZOL-3-IUM
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
YQBMKRANULMYDX-JUQVGMLLSA-O
SMILES
Cc1c(sc([n+]1Cc2cnc(nc2N)C)C(O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)O)OP(=O)(O)O)O)CCOP(=O)(O)OP(=O)(O)O
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
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Structure: 2JI7
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Color Legend
Unassigned regionsLigand / hetero atomse2ji7A1e2ji7A2e2ji7A3e2ji7B1e2ji7B2e2ji7B3
ECOD domains from experimental PDB structures interacting with ligand OXT