Structure of PDB 6mg5 Chain B Binding Site BS01

Receptor Information
>6mg5 Chain B (length=215) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NFMLNQPHSVSESPGKTVTISCTRSSGNIDSNYVQWYQQRPGSAPITVIY
EDNQRPSGVPDRFAGSIDRSSNSASLTISGLKTEDEADYYCQSYDARNVV
FGGGTRLTVLGQPKAAPSVTLFPPSSEELQANKATLVCLISDFYPGAVTV
AWKADSSPVKAGVETTTPSKQSNNKYAASSYLSLTPEQWKSHKSYSCQVT
HEGSTVEKTVAPTEC
Ligand information
Ligand ID6ZW
InChIInChI=1S/C14H17NO2/c1-4-15(5-2)11-6-7-12-10(3)8-14(16)17-13(12)9-11/h6-9H,4-5H2,1-3H3
InChIKeyAFYCEAFSNDLKSX-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=C2Oc1cc(ccc1C(=C2)C)N(CC)CC
OpenEye OEToolkits 2.0.5CCN(CC)c1ccc2c(c1)OC(=O)C=C2C
CACTVS 3.385CCN(CC)c1ccc2C(=CC(=O)Oc2c1)C
FormulaC14 H17 N O2
Name7-(diethylamino)-4-methyl-2H-1-benzopyran-2-one
ChEMBLCHEMBL315348
DrugBank
ZINCZINC000000057145
PDB chain6mg5 Chain B Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB6mg5 Stabilization of amyloidogenic immunoglobulin light chains by small molecules.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		Y36 P44 T46
Binding residue
(residue number reindexed from 1)		Y37 P45 T47
Annotation score1
Binding affinityMOAD: Kd=20.3uM
External links