Structure of PDB 7m2k Chain D Binding Site BS01

Receptor Information
>7m2k Chain D (length=75) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GMQIFVKTLTGKTITLEVEPSDTIENVKAKIQDKEGIPPDQQRLIFAGKQ
LEDGRTLSDYNIQKESTLHLVLRLR
Ligand information
Ligand IDGZM
InChIInChI=1S/C24H28Cl2N2O3/c1-3-27-23(30)24(8-10-28(11-9-24)22(29)16-31-2)15-17-4-6-18(7-5-17)19-12-20(25)14-21(26)13-19/h4-7,12-14H,3,8-11,15-16H2,1-2H3,(H,27,30)
InChIKeyCRYYCXAJUDVWAO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCNC(=O)C1(CCN(CC1)C(=O)COC)Cc2ccc(cc2)c3cc(cc(c3)Cl)Cl
ACDLabs 12.01O=C(COC)N1CCC(Cc2ccc(cc2)c2cc(Cl)cc(Cl)c2)(CC1)C(=O)NCC
CACTVS 3.385CCNC(=O)C1(CCN(CC1)C(=O)COC)Cc2ccc(cc2)c3cc(Cl)cc(Cl)c3
FormulaC24 H28 Cl2 N2 O3
Name4-[(3',5'-dichloro[1,1'-biphenyl]-4-yl)methyl]-N-ethyl-1-(methoxyacetyl)piperidine-4-carboxamide
ChEMBL
DrugBank
ZINC
PDB chain7m2k Chain C Residue 201 [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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PDB7m2k Identification and optimization of molecular glue compounds that inhibit a noncovalent E2 enzyme-ubiquitin complex.
Resolution2.47 Å
Binding residue
(original residue number in PDB)		G47 K48
Binding residue
(residue number reindexed from 1)		G48 K49
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:7m2k, PDBe:7m2k, PDBj:7m2k
PDBsum7m2k
PubMed34705497
UniProtP0CG47|UBB_HUMAN Polyubiquitin-B (Gene Name=UBB)

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