((2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXY-TETRAHYDROFURAN-2-YL)METHYL 5-((3AS,4S,6AR)-2-OXO-HEXAHYDRO-1H-THIENO[3,4-D]IMIDAZOL-4-YL)PENTYL HYDROGEN PHOSPHATE
P06709 — Bifunctional ligase/repressor BirA
Attributes
UniProt ID
Protein Name
Bifunctional ligase/repressor BirA
Ligand Name
((2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXY-TETRAHYDROFURAN-2-YL)METHYL 5-((3AS,4S,6AR)-2-OXO-HEXAHYDRO-1H-THIENO[3,4-D]IMIDAZOL-4-YL)PENTYL HYDROGEN PHOSPHATE
DrugBank ID
PDB Ligand Accession
ChEMBL ID
PubChem ID
InChIKey
KBOGUFFJCBPJEH-SQGSUPJISA-N
SMILES
c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OCCCCCC4C5C(CS4)NC(=O)N5)O)O)N
Drug Action
n/a
Affinity Metrics
ki:87 nM
kd:1.5 nM