Structure of PDB 8ck8 Chain A Binding Site BS01

Receptor Information
>8ck8 Chain A (length=110) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EFKGLDSKTFLSEHSMDMKFTYCDDRITELIGYHPEELLGRSAYEFYHAL
DSENMTKSHQNLCTKGQVVSGQYRMLAKHGGYVWLETQGTVIYNPPQCIM
CVNYVLSEIE
Ligand information
Ligand IDUYF
InChIInChI=1S/C14H18F2O4S2/c1-22(18,19)13-10-9(7-14(15,16)11(10)17)12(21-13)20-8-5-3-2-4-6-8/h8,11,17H,2-7H2,1H3/t11-/m0/s1
InChIKeyVVRLYNNVBDMZCH-NSHDSACASA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CS(=O)(=O)c1c2c(c(s1)OC3CCCCC3)CC(C2O)(F)F
OpenEye OEToolkits 2.0.7CS(=O)(=O)c1c2c(c(s1)OC3CCCCC3)CC([C@H]2O)(F)F
CACTVS 3.385C[S](=O)(=O)c1sc(OC2CCCCC2)c3CC(F)(F)[CH](O)c13
CACTVS 3.385C[S](=O)(=O)c1sc(OC2CCCCC2)c3CC(F)(F)[C@@H](O)c13
FormulaC14 H18 F2 O4 S2
Name(4~{S})-1-cyclohexyloxy-5,5-bis(fluoranyl)-3-methylsulfonyl-4,6-dihydrocyclopenta[c]thiophen-4-ol
ChEMBL
DrugBank
ZINC
PDB chain8ck8 Chain A Residue 401 [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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PDB8ck8 Discovery of Cycloalkyl[ c ]thiophenes as Novel Scaffolds for Hypoxia-Inducible Factor-2 alpha Inhibitors.
Resolution2.302 Å
Binding residue
(original residue number in PDB)		H248 M252 A277 Y281 H293 Y307 M309 T321 G323 I337 C339 N341
Binding residue
(residue number reindexed from 1)		H14 M18 A43 Y47 H59 Y73 M75 T87 G89 I99 C101 N103
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:8ck8, PDBe:8ck8, PDBj:8ck8
PDBsum8ck8
PubMed37403966
UniProtQ99814|EPAS1_HUMAN Endothelial PAS domain-containing protein 1 (Gene Name=EPAS1)

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