2026-02-14_00000205
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ligand
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9I64
Crystal structure of Casdatifan bound to HIF2a-B*:ARNT-B* complex;
X-ray diffraction 1.56Å
Protein #1
112 residues (98% resolved)
Raw Sequence ...
SDSKTFLSEHSMDMKFTYCDDRITELIGYHPEELLGRSAYEFYHALDSENMTKSHQNLCTKGQVVSGQYRMLAKHGGYVWLETQGTVIYNPRNLQPQCIMCVNYVLSEIEKN
Canonical Sequence ...
SDSKTFLSEHSMDMKFTYCDDRITELIGYHPEELLGRSAYEFYHALDSENMTKSHQNLCTKGQVVSGQYRMLAKHGGYVWLETQGTVIYNPRNLQPQCIMCVNYVLSEIEKN
Protein #2
116 residues (91% resolved)
Raw Sequence ...
SNVCQPTRFISRHNIEGIFTFVDHRCVATVGYQPQELLGKNIVEFCHPEDQQLLRDSFQQVVKLKGQVLSVMFRFRSKNQEWLWMRTSSFTFQNPYSDEIEYIICTNTNVKNSSQE
Canonical Sequence ...
SNVCQPTRFISRHNIEGIFTFVDHRCVATVGYQPQELLGKNIVEFCHPEDQQLLRDSFQQVVKLKGQVLSVMFRFRSKNQEWLWMRTSSFTFQNPYSDEIEYIICTNTNVKNSSQE
Non polymer #3
A1I0H
InChI=1S/C21H17F4NO3S/c1-30(28,29)17-3-2-11(13-7-16(24)21(27)19(13)17)12-6-15(23)20(25)14-5-10(22)4-9(8-26)18(12)14/h2-5,12,15-16,20-21,27H,6-7H2,1H3/t12?,15-,16+,20+,21?/m0/s1
InChI=1S/C21H17F4NO3S/c1-30(28,29)17-3-2-11(13-7-16(24)21(27)19(13)17)12-6-15(23)20(25)14-5-10(22)4-9(8-26)18(12)14/h2-5,12,15-16,20-21,27H,6-7H2,1H3/t12?,15-,16+,20+,21?/m0/s1
SMILES: CS(=O)(=O)c1ccc(c2c1[C@@H]([C@@H](C2)F)O)[C@H]3C[C@@H]([C@@H](c4c3c(cc(c4)F)C#N)F)F
CS(=O)(=O)c1ccc(c2c1[C@@H]([C@@H](C2)F)O)[C@H]3C[C@@H]([C@@H](c4c3c(cc(c4)F)C#N)F)F
Non polymer #4
FMT
InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)
InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)
SMILES: C(=O)O
C(=O)O
Non polymer #5
MG
InChI=1S/Mg/q+2
InChI=1S/Mg/q+2
SMILES: [Mg+2]
[Mg+2]
Biounit #1
hetero-1-1-mer
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Model
Reference
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