Structure of PDB 8qdk Chain A Binding Site BS01

Receptor Information
>8qdk Chain A (length=168) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MTEYKLVVVGAVGVGKSALTIQLIQNHFVDEYDPTIEDSYRKQVVIDGET
CLLDILDTAGQEEYSAMRDQYMRTGEGFLCVFAINNTKSFEDIHHYREQI
KRVKDSEDVPMVLVGNKSDLPSRTVDTKQAQDLARSYGIPFIETSAKTRQ
GVDDAFYTLVREIRKHKE
Ligand information
Ligand IDWZD
InChIInChI=1S/C12H11N3O/c1-2-6-11-10(5-1)14-12(15-11)13-8-9-4-3-7-16-9/h1-7H,8H2,(H2,13,14,15)
InChIKeyVVXTVMPZTWGDLF-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc2c(c1)[nH]c(n2)NCc3ccco3
CACTVS 3.385C(Nc1[nH]c2ccccc2n1)c3occc3
ACDLabs 12.01c1cccc2c1nc(n2)NCc3ccco3
FormulaC12 H11 N3 O
NameN-[(furan-2-yl)methyl]-1H-benzimidazol-2-amine
ChEMBLCHEMBL5191268
DrugBank
ZINCZINC000000513005
PDB chain8qdk Chain A Residue 500 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8qdk NMR2 Structure of KRAS G12V (GMPPNP bound) in complex with 5-(1H-indol-2-l)piperazin-2-one
ResolutionN/A
Binding residue
(original residue number in PDB)		K5 L6 D54 L56 T74 G75
Binding residue
(residue number reindexed from 1)		K5 L6 D54 L56 T74 G75
Annotation score1
External links