DrugDomain logoDrugDomain

Attributes

UniProt ID
Protein Name
GTPase KRas
Ligand Name
{(2S)-4-[7-(8-chloronaphthalen-1-yl)-2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]-1-[(2S)-2-fluoropropanoyl]piperazin-2-yl}acetonitrile
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
BQFJNAAUAQEWHZ-XWGVYQGASA-N
SMILES
CC(C(=O)N1CCN(CC1CC#N)c2c3c(nc(n2)OCC4CCCN4C)CN(CC3)c5cccc6c5c(ccc6)Cl)F
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

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Structure: 6UT0
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Color Legend
Unassigned regionsLigand / hetero atomse6ut0A1e6ut0B1e6ut0C1e6ut0D1
ECOD domains from experimental PDB structures interacting with ligand M1X
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
P01116n/aM1X6ut0e6ut0A1A:1-169
P01116n/aM1X6ut0e6ut0B1B:0-167
P01116n/aM1X6ut0e6ut0C1C:0-169
P01116n/aM1X6ut0e6ut0D1D:0-169