DrugDomain logoDrugDomain

Attributes

UniProt ID
Protein Name
GTPase KRas
Ligand Name
(4~{S})-2-azanyl-4-[3-[6-[(2~{S})-2,4-dimethylpiperazin-1-yl]-4-(4-prop-2-enoylpiperazin-1-yl)pyridin-2-yl]-1,2,4-oxadiazol-5-yl]-4-methyl-6,7-dihydro-5~{H}-1-benzothiophene-3-carbonitrile
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
CKAMBYUZKWQCKJ-ADSBAMQRSA-N
SMILES
CC1CN(CCN1c2cc(cc(n2)c3nc(on3)C4(CCCc5c4c(c(s5)N)C#N)C)N6CCN(CC6)C(=O)C=C)C
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

Interactive Mol* view for the current protein-molecule pair.

Structure: 8AFB
Hover over the Mol* viewer to rotate or zoom with the mouse. Move the cursor out of the viewer to go back to normal page scrolling and one-click navigation.
Hover inside the viewer to rotate or zoom. Move out to scroll the page or click links normally.
Color Legend
Unassigned regionsLigand / hetero atomse8afbA1
ECOD domains from experimental PDB structures interacting with ligand LXD
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
P01116n/aLXD8afbe8afbA1A:2-165