{3-[(1M,2M)-2-{[(1S,2P)-1H,1'H-[2,2'-bipyrrol]-5-yl-kappaN~1~]methylidene}-2H-pyrrol-5-yl-kappaN]-N-(2-{2-[3-({(3M)-3-[(4aM)-3-cyclopropyl-5-(2-fluoro-4-iodoanilino)-6,8-dimethyl-2,4,7-trioxo-3,4,6,7-tetrahydropyrido[4,3-d]pyrimidin-1(2H)-yl]phenyl}amino)-3-oxopropoxy]ethoxy}ethyl)propanamidato}(difluorido)boron
Q02750 — Dual specificity mitogen-activated protein kinase kinase 1
Attributes
UniProt ID
Protein Name
Dual specificity mitogen-activated protein kinase kinase 1
Ligand Name
{3-[(1M,2M)-2-{[(1S,2P)-1H,1'H-[2,2'-bipyrrol]-5-yl-kappaN~1~]methylidene}-2H-pyrrol-5-yl-kappaN]-N-(2-{2-[3-({(3M)-3-[(4aM)-3-cyclopropyl-5-(2-fluoro-4-iodoanilino)-6,8-dimethyl-2,4,7-trioxo-3,4,6,7-tetrahydropyrido[4,3-d]pyrimidin-1(2H)-yl]phenyl}amino)-3-oxopropoxy]ethoxy}ethyl)propanamidato}(difluorido)boron
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
None
PubChem ID
InChIKey
IBAMXDPOERGEKA-UHFFFAOYSA-N
SMILES
[B-]1(n2c(ccc2c3ccc[nH]3)C=C4[N+]1=C(C=C4)CCC(=O)NCCOCCOCCC(=O)Nc5cccc(c5)N6C7=C(C(=O)N(C(=C7C(=O)N(C6=O)C8CC8)Nc9ccc(cc9F)I)C)C)(F)F
Drug Action
No data available
Affinity Metrics
No affinity data available