Structure of PDB 7dy7 Chain A Binding Site BS01

Receptor Information
>7dy7 Chain A (length=126) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQF
VHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMIS
YGGADYKRITVKVNAPYAAALEHHHH
Ligand information
Ligand IDHOU
InChIInChI=1S/C24H24N4O2/c1-17-21(19-8-3-2-4-9-19)11-6-12-22(17)23-27-28-24(30-23)26-20-10-5-7-18(15-20)16-25-13-14-29/h2-12,15,25,29H,13-14,16H2,1H3,(H,26,28)
InChIKeyYBHXMLDVPTWSAS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1c(cccc1c2nnc(o2)Nc3cccc(c3)CNCCO)c4ccccc4
CACTVS 3.385Cc1c(cccc1c2oc(Nc3cccc(CNCCO)c3)nn2)c4ccccc4
FormulaC24 H24 N4 O2
Name2-[[3-[[5-(2-methyl-3-phenyl-phenyl)-1,3,4-oxadiazol-2-yl]amino]phenyl]methylamino]ethanol
ChEMBLCHEMBL5072692
DrugBank
ZINC
PDB chain7dy7 Chain B 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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PDB7dy7 Discovery of Small-Molecule Inhibitors of the PD-1/PD-L1 Axis That Promote PD-L1 Internalization and Degradation.
Resolution2.42 Å
Binding residue
(original residue number in PDB)		I116 S117 A121 D122 Y123 K124
Binding residue
(residue number reindexed from 1)		I99 S100 A104 D105 Y106 K107
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:7dy7, PDBe:7dy7, PDBj:7dy7
PDBsum7dy7
PubMed35188766
UniProtQ9NZQ7|PD1L1_HUMAN Programmed cell death 1 ligand 1 (Gene Name=CD274)

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