Structure of PDB 8p64 Chain B Binding Site BS01

Receptor Information
>8p64 Chain B (length=118) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQF
VHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMIS
YGGADYKRITVKVNAPYA
Ligand information
Ligand IDX1Q
InChIInChI=1S/C19H21N5/c1-3-20-14-19-21-22-23-24(19)13-12-16-10-7-11-18(15(16)2)17-8-5-4-6-9-17/h4-13,20H,3,14H2,1-2H3/b13-12+
InChIKeyWDSZHUIPBINVDD-OUKQBFOZSA-N
SMILES
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.7		CCNCc1nnnn1/C=C/c2cccc(c2C)c3ccccc3
CACTVS 3.385
OpenEye OEToolkits 2.0.7		CCNCc1nnnn1C=Cc2cccc(c2C)c3ccccc3
FormulaC19 H21 N5
Name~{N}-[[1-[(~{E})-2-(2-methyl-3-phenyl-phenyl)ethenyl]-1,2,3,4-tetrazol-5-yl]methyl]ethanamine
ChEMBL
DrugBank
ZINC
PDB chain8p64 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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PDB8p64 1,5-disubstituted Tetrazoles as PD-1/PD-L1 Antagonist
Resolution3.312 Å
Binding residue
(original residue number in PDB)		Y42 Q52 M101 I102 S103 A107
Binding residue
(residue number reindexed from 1)		Y39 Q49 M98 I99 S100 A104
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:8p64, PDBe:8p64, PDBj:8p64
PDBsum8p64
PubMed38665826
UniProtQ9NZQ7|PD1L1_HUMAN Programmed cell death 1 ligand 1 (Gene Name=CD274)

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