Searching for structures with analogs of Tofacitinib.

Search results (32 entries covering 16 PDB structures)

#KinaseFamilyGroupPDBChain(Alternate) Model Orthosteric ligandOrganismDetailsSimilarity (MFP)File
PKN1PKNAGC4otiAB3-{(3r,4r)-4-methyl-3-[methyl(7h-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}-3-oxopropanenitrileHuman5471.00
PKN1PKNAGC4otiAA3-{(3r,4r)-4-methyl-3-[methyl(7h-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}-3-oxopropanenitrileHuman5511.00
JAK2JakATK5tq6A{(3r,4r)-4-methyl-3-[methyl(7h-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}(pyrrolidin-1-yl)methanoneHuman73540.72
JAK2JakATK5tq6B{(3r,4r)-4-methyl-3-[methyl(7h-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}(pyrrolidin-1-yl)methanoneHuman73610.72
JAK1JakATK3eygAA3-{(3r,4r)-4-methyl-3-[methyl(7h-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}-3-oxopropanenitrileHuman14451.00
JAK1JakATK3eygAB3-{(3r,4r)-4-methyl-3-[methyl(7h-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}-3-oxopropanenitrileHuman14531.00
JAK1JakATK4i5cAA3-oxo-3-[(3r)-3-(pyrrolo[2,3-b][1,2,3]triazolo[4,5-d]pyridin-1(6h)-yl)piperidin-1-yl]propanenitrileHuman14460.56
JAK1JakATK4i5cBB3-oxo-3-[(3r)-3-(pyrrolo[2,3-b][1,2,3]triazolo[4,5-d]pyridin-1(6h)-yl)piperidin-1-yl]propanenitrileHuman14580.56
JAK1JakATK4i5cBA3-oxo-3-[(3r)-3-(pyrrolo[2,3-b][1,2,3]triazolo[4,5-d]pyridin-1(6h)-yl)piperidin-1-yl]propanenitrileHuman14670.56
TYK2JakATK3lxnA3-{(3r,4r)-4-methyl-3-[methyl(7h-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}-3-oxopropanenitrileHuman33371.00
JAK2JakATK4e6dBA3-[(3r)-3-(imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6h)-yl)piperidin-1-yl]-3-oxopropanenitrileHuman36310.50
JAK2JakATK3fupB3-{(3r,4r)-4-methyl-3-[methyl(7h-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}-3-oxopropanenitrileHuman36541.00
JAK2JakATK4e6dBB3-[(3r)-3-(imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6h)-yl)piperidin-1-yl]-3-oxopropanenitrileHuman36470.50
JAK2JakATK4e6dAA3-[(3r)-3-(imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6h)-yl)piperidin-1-yl]-3-oxopropanenitrileHuman36890.50
JAK2JakATK3fupA3-{(3r,4r)-4-methyl-3-[methyl(7h-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}-3-oxopropanenitrileHuman37211.00
JAK3JakATK5ttuAA1-[(3ar,7ar)-1-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)octahydro-6h-pyrrolo[2,3-c]pyridin-6-yl]propan-1-oneHuman74350.46
JAK3JakATK5ttuAB1-[(3ar,7ar)-1-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)octahydro-6h-pyrrolo[2,3-c]pyridin-6-yl]propan-1-oneHuman74380.46
JAK3JakATK5ttsA1-{(3r)-3-[(7h-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}propan-1-oneHuman74390.47
JAK3JakATK3lxkA3-{(3r,4r)-4-methyl-3-[methyl(7h-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}-3-oxopropanenitrileHuman4361.00
JAK1JakATK4i5cAB3-oxo-3-[(3r)-3-(pyrrolo[2,3-b][1,2,3]triazolo[4,5-d]pyridin-1(6h)-yl)piperidin-1-yl]propanenitrileHuman14710.56
JAK2JakATK4e6dAB3-[(3r)-3-(imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6h)-yl)piperidin-1-yl]-3-oxopropanenitrileHuman36560.50
JAK1JakATK5khxAA~{n}-[3-[methyl(7~{h}-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl]methanesulfonamideHuman71670.40
JAK1JakATK5khxAB~{n}-[3-[methyl(7~{h}-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl]methanesulfonamideHuman71660.40
JAK3JakATK5tozA1-{(2s,5r)-2-methyl-5-[(7h-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}propan-1-oneHuman71630.42
JAK2JakATK5tq7B{(3r,4r)-4-methyl-3-[methyl(7h-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}[(3r)-3-(phenylsulfonyl)pyrrolidin-1-yl]methanoneHuman73530.62
JAK2JakATK5tq7A{(3r,4r)-4-methyl-3-[methyl(7h-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}[(3r)-3-(phenylsulfonyl)pyrrolidin-1-yl]methanoneHuman73550.62
JAK2JakATK6bbvAn-{cis-3-[methyl(7h-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl}propane-1-sulfonamideHuman95040.41
JAK1JakATK6bbuAAn-{cis-3-[methyl(7h-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl}propane-1-sulfonamideHuman94970.41
JAK1JakATK6bbuABn-{cis-3-[methyl(7h-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl}propane-1-sulfonamideHuman94960.41
JAK3JakATK7c3nAB3-[(3s,4r)-3-methyl-7-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)-1,7-diazaspiro[3.4]octan-1-yl]-3-oxidanylidene-propanenitrileHuman123910.50
JAK3JakATK7c3nAC3-[(3s,4r)-3-methyl-7-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)-1,7-diazaspiro[3.4]octan-1-yl]-3-oxidanylidene-propanenitrileHuman123900.50
JAK3JakATK7c3nAA3-[(3s,4r)-3-methyl-7-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)-1,7-diazaspiro[3.4]octan-1-yl]-3-oxidanylidene-propanenitrileHuman123890.50