Structure of PDB 6w4y Chain A Binding Site BS01

Receptor Information
>6w4y Chain A (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 ID7ZW
InChIInChI=1S/C16H18F3N3O3/c1-9(2)7-12-14(24)22(15(25)21-12)8-13(23)20-11-5-3-10(4-6-11)16(17,18)19/h3-6,9,12H,7-8H2,1-2H3,(H,20,23)(H,21,25)/t12-/m1/s1
InChIKeyMBIZXWSVLJMQRX-GFCCVEGCSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CC(C)C[C@H]1NC(=O)N(CC(=O)Nc2ccc(cc2)C(F)(F)F)C1=O
OpenEye OEToolkits 2.0.7CC(C)CC1C(=O)N(C(=O)N1)CC(=O)Nc2ccc(cc2)C(F)(F)F
OpenEye OEToolkits 2.0.7CC(C)C[C@@H]1C(=O)N(C(=O)N1)CC(=O)Nc2ccc(cc2)C(F)(F)F
CACTVS 3.385CC(C)C[CH]1NC(=O)N(CC(=O)Nc2ccc(cc2)C(F)(F)F)C1=O
FormulaC16 H18 F3 N3 O3
Name2-[(4~{R})-4-(2-methylpropyl)-2,5-bis(oxidanylidene)imidazolidin-1-yl]-~{N}-[4-(trifluoromethyl)phenyl]ethanamide
ChEMBLCHEMBL4751505
DrugBank
ZINCZINC000006836367
PDB chain6w4y Chain A Residue 301 [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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PDB6w4y Structural basis for the stabilization of amyloidogenic immunoglobulin light chains by hydantoins.
Resolution1.91 Å
Binding residue
(original residue number in PDB)		Y36 P44 Y87 F98
Binding residue
(residue number reindexed from 1)		Y37 P45 Y90 F101
Annotation score1
External links