(2~{S},4~{R})-1-[(2~{S})-2-[2-[2-[2-[4-[(1~{S})-1-[(1~{S},5~{S},6~{R})-10-[3,5-bis(chloranyl)phenyl]sulfonyl-5-ethenyl-2-oxidanylidene-3,10-diazabicyclo[4.3.1]decan-3-yl]ethyl]-1,2,3-triazol-1-yl]ethoxy]ethoxy]ethanoylamino]-3,3-dimethyl-butanoyl]-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide
P62942 — Peptidyl-prolyl cis-trans isomerase FKBP1A
Attributes
UniProt ID
Protein Name
Peptidyl-prolyl cis-trans isomerase FKBP1A
Ligand Name
(2~{S},4~{R})-1-[(2~{S})-2-[2-[2-[2-[4-[(1~{S})-1-[(1~{S},5~{S},6~{R})-10-[3,5-bis(chloranyl)phenyl]sulfonyl-5-ethenyl-2-oxidanylidene-3,10-diazabicyclo[4.3.1]decan-3-yl]ethyl]-1,2,3-triazol-1-yl]ethoxy]ethoxy]ethanoylamino]-3,3-dimethyl-butanoyl]-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
None
PubChem ID
InChIKey
MFMLZZDFONRVIU-SNTVEAOZSA-N
SMILES
Cc1c(scn1)c2ccc(cc2)CNC(=O)C3CC(CN3C(=O)C(C(C)(C)C)NC(=O)COCCOCCn4cc(nn4)C(C)N5CC(C6CCCC(C5=O)N6S(=O)(=O)c7cc(cc(c7)Cl)Cl)C=C)O
Drug Action
No data available
Affinity Metrics
No affinity data available