Structure of PDB 4tzu Chain B Binding Site BS02

Receptor Information
>4tzu Chain B (length=91) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TSLCCKQCQETEITTKNEIFSLSETLTVYKASNLNLIGRPSTVHSWFPGY
AWTIAQCKICASHIGWKFTATKKDMSPQKFWGLTRSALLPT
Ligand information
Ligand IDY70
InChIInChI=1S/C13H11N3O4/c14-7-3-1-2-6-10(7)13(20)16(12(6)19)8-4-5-9(17)15-11(8)18/h1-3,8H,4-5,14H2,(H,15,17,18)/t8-/m0/s1
InChIKeyUVSMNLNDYGZFPF-QMMMGPOBSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=C1NC(=O)CCC1N3C(=O)c2cccc(c2C3=O)N
CACTVS 3.385Nc1cccc2C(=O)N([C@H]3CCC(=O)NC3=O)C(=O)c12
OpenEye OEToolkits 1.9.2c1cc2c(c(c1)N)C(=O)N(C2=O)[C@H]3CCC(=O)NC3=O
CACTVS 3.385Nc1cccc2C(=O)N([CH]3CCC(=O)NC3=O)C(=O)c12
OpenEye OEToolkits 1.9.2c1cc2c(c(c1)N)C(=O)N(C2=O)C3CCC(=O)NC3=O
FormulaC13 H11 N3 O4
NameS-Pomalidomide
ChEMBLCHEMBL2093113
DrugBank
ZINCZINC000003940470
PDB chain4tzu Chain B Residue 505 [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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PDB4tzu Structural Basis for Responsiveness to Thalidomide-Analog Drugs Defined by the Crystal Structure of the Human Cereblon:DDB1:Lenalidomide Complex
Resolution2.0 Å
Binding residue
(original residue number in PDB)		H380 S381 W382 W388 W402 F404
Binding residue
(residue number reindexed from 1)		H44 S45 W46 W52 W66 F68
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:4tzu, PDBe:4tzu, PDBj:4tzu
PDBsum4tzu
PubMed
UniProtQ8C7D2|CRBN_MOUSE Protein cereblon (Gene Name=Crbn)

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