BDBM696416 C16-(1,1-dioxido-1,2-thiazetidin-2-yl)-C32-deoxo-rapamycin (Diastereomer 1)::US12091424, Example 6

SMILES CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@@H](C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)N2CCS2(=O)=O)CC[C@H]1O

InChI Key InChIKey=ORALXZMWFFMYLU-UHFFFAOYSA-N

Data  3 Kd

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 696416   

TargetPeptidyl-prolyl cis-trans isomerase FKBP1A(Human)
Novartis

US Patent
LigandPNGBDBM696416(C16-(1,1-dioxido-1,2-thiazetidin-2-yl)-C32-deoxo-r...)
Affinity DataKd:  0.320nMAssay Description:N-terminal avi-his6 tagged FKBP fusions to FKBP12, FKBP51 and FKBP52 were expressed in E. coli and purified using standard chromatography. Each prote...More data for this Ligand-Target Pair
Ligand InfoSimilars
In Depth
Date in BDB:
1/13/2025
Entry Details
Go to US Patent

TargetPeptidyl-prolyl cis-trans isomerase FKBP5(Human)
Novartis

US Patent
LigandPNGBDBM696416(C16-(1,1-dioxido-1,2-thiazetidin-2-yl)-C32-deoxo-r...)
Affinity DataKd:  39nMAssay Description:N-terminal avi-his6 tagged FKBP fusions to FKBP12, FKBP51 and FKBP52 were expressed in E. coli and purified using standard chromatography. Each prote...More data for this Ligand-Target Pair
Ligand InfoSimilars
In Depth
Date in BDB:
1/13/2025
Entry Details
Go to US Patent

TargetPeptidyl-prolyl cis-trans isomerase FKBP4(Human)
Novartis

US Patent
LigandPNGBDBM696416(C16-(1,1-dioxido-1,2-thiazetidin-2-yl)-C32-deoxo-r...)
Affinity DataKd:  53nMAssay Description:N-terminal avi-his6 tagged FKBP fusions to FKBP12, FKBP51 and FKBP52 were expressed in E. coli and purified using standard chromatography. Each prote...More data for this Ligand-Target Pair
Ligand InfoSimilars
In Depth
Date in BDB:
1/13/2025
Entry Details
Go to US Patent