Structure of PDB 8qe7 Chain A Binding Site BS01

Receptor Information
>8qe7 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 IDT6J
InChIInChI=1S/C9H10N2O2S/c1-14(12,13)6-9-10-7-4-2-3-5-8(7)11-9/h2-5H,6H2,1H3,(H,10,11)
InChIKeyWCWTYTQSZZWNEW-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CS(=O)(=O)Cc1[nH]c2ccccc2n1
CACTVS 3.385C[S](=O)(=O)Cc1[nH]c2ccccc2n1
ACDLabs 12.01n1c(nc2ccccc12)CS(C)(=O)=O
FormulaC9 H10 N2 O2 S
Name2-[(methylsulfonyl)methyl]-1H-benzimidazole
ChEMBL
DrugBank
ZINCZINC000003888556
PDB chain8qe7 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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PDB8qe7 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 S39 D54 I55 L56 T74 G75
Binding residue
(residue number reindexed from 1)		K5 L6 S39 D54 I55 L56 T74 G75
Annotation score1
External links