Structure of PDB 6d0b Chain A Binding Site BS01

Receptor Information
>6d0b Chain A (length=109) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FKGLDSKTFLSEHSMDMKFTYCDDRITELIGYHPEELLGRSAYEFYHALD
SENMTKSHQNLCTKGQVVSGQYRMLAKHGGYVWLETQGTVIYNPPQCIMC
VNYVLSEIE
Ligand information
Ligand IDFOV
InChIInChI=1S/C13H7ClF4N2O4S/c14-7-3-8(15)5-9(4-7)19-11-2-1-10(6-12(11)20(21)22)25(23,24)13(16,17)18/h1-6,19H
InChIKeyQONODMQQXMILPX-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=N(c1c(ccc(c1)S(C(F)(F)F)(=O)=O)Nc2cc(Cl)cc(c2)F)=O
CACTVS 3.385Fc1cc(Cl)cc(Nc2ccc(cc2[N](=O)=O)[S](=O)(=O)C(F)(F)F)c1
OpenEye OEToolkits 2.0.6c1cc(c(cc1S(=O)(=O)C(F)(F)F)N(=O)=O)Nc2cc(cc(c2)Cl)F
FormulaC13 H7 Cl F4 N2 O4 S
NameN-(3-chloro-5-fluorophenyl)-2-nitro-4-[(trifluoromethyl)sulfonyl]aniline
ChEMBLCHEMBL4168682
DrugBank
ZINC
PDB chain6d0b 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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PDB6d0b Crystal structure of PT1614 bound to HIF2a-B*:ARNT-B* complex
Resolution1.6 Å
Binding residue
(original residue number in PDB)		F244 H248 M252 F254 Y281 M289 V302 S304 Y307 M309 T321 I337 C339 N341
Binding residue
(residue number reindexed from 1)		F9 H13 M17 F19 Y46 M54 V67 S69 Y72 M74 T86 I98 C100 N102
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:6d0b, PDBe:6d0b, PDBj:6d0b
PDBsum6d0b
PubMed
UniProtQ99814|EPAS1_HUMAN Endothelial PAS domain-containing protein 1 (Gene Name=EPAS1)

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