Ligand ID | Ligand short name | Ligand long name | PDB ID | PDB name | mutLBS |
MI1 | | CP-690,550 | 3fup | A | G858 | 1P5 | | (3S)-1-[6-(2-AMINOPYRAZOLO[1,5-A]PYRIMIDIN-3-YL)PYRIMIDIN-4-YL]-N,N-DIETHYLPIPERIDINE-3-CARBOXAMIDE | 3io7 | A | G858 | DQX | | 8-[3,5-DIFLUORO-4-(MORPHOLIN-4-YLMETHYL)PHENYL]-2-(1-PIPERIDIN-4-YL-1H-PYRAZOL-4-YL)QUINOXALINE | 3krr | A | G858 | 0TP | | 4-AMINO-N-METHYL-2-[4-(MORPHOLIN-4-YL)PHENYL]THIENO[3,2-C]PYRIDINE-7-CARBOXAMIDE | 3tjc | A | G858 | 0TP | | 4-AMINO-N-METHYL-2-[4-(MORPHOLIN-4-YL)PHENYL]THIENO[3,2-C]PYRIDINE-7-CARBOXAMIDE | 3tjc | B | G858 | 6TP | | 4-AMINO-2-[4-(TERT-BUTYLSULFAMOYL)PHENYL]-N-METHYLTHIENO[3,2-C]PYRIDINE-7-CARBOXAMIDE | 3tjd | B | G858 | O19 | | (2R)-N-[4-[2-[(4-MORPHOLIN-4-YLPHENYL)AMINO] PYRIMIDIN-4-YL]PHENYL]PYRROLIDINE-2- CARBOXAMIDE | 4bbf | A | G858 | O19 | | (2R)-N-[4-[2-[(4-MORPHOLIN-4-YLPHENYL)AMINO] PYRIMIDIN-4-YL]PHENYL]PYRROLIDINE-2- CARBOXAMIDE | 4bbf | B | G858 | O19 | | (2R)-N-[4-[2-[(4-MORPHOLIN-4-YLPHENYL)AMINO] PYRIMIDIN-4-YL]PHENYL]PYRROLIDINE-2- CARBOXAMIDE | 4bbf | C | G858 | O19 | | (2R)-N-[4-[2-[(4-MORPHOLIN-4-YLPHENYL)AMINO] PYRIMIDIN-4-YL]PHENYL]PYRROLIDINE-2- CARBOXAMIDE | 4bbf | D | G858 | 0NH | | 1-[4-METHYL-1-(METHYLSULFONYL)PIPERIDIN-4-YL]-1,6- DIHYDROIMIDAZO[4,5-D]PYRROLO[2,3-B]PYRIDINE | 4e4m | A | G858 | 0NH | | 1-[4-METHYL-1-(METHYLSULFONYL)PIPERIDIN-4-YL]-1,6- DIHYDROIMIDAZO[4,5-D]PYRROLO[2,3-B]PYRIDINE | 4e4m | B | G858 | 0NH | | 1-[4-METHYL-1-(METHYLSULFONYL)PIPERIDIN-4-YL]-1,6- DIHYDROIMIDAZO[4,5-D]PYRROLO[2,3-B]PYRIDINE | 4e4m | D | G858 | 0NH | | 1-[4-METHYL-1-(METHYLSULFONYL)PIPERIDIN-4-YL]-1,6- DIHYDROIMIDAZO[4,5-D]PYRROLO[2,3-B]PYRIDINE | 4e4m | E | G858 | 0NU | | 3-[(3R)-3-(IMIDAZO[4,5-D]PYRROLO[2,3-B]PYRIDIN-1(6H)- YL)PIPERIDIN-1-YL]-3-OXOPROPANENITRILE | 4e6d | A | G858 | 0NV | | 1-(1-BENZYLPIPERIDIN-4-YL)-1,6-DIHYDROIMIDAZO[4,5- D]PYRROLO[2,3-B]PYRIDINE | 4e6q | A | G858 | 15V | | N-[1-(3-CHLOROPHENYL)-3-METHYL-1H-PYRAZOL-5- YL]PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBOXAMIDE | 4hge | A | G858 | 15V | | N-[1-(3-CHLOROPHENYL)-3-METHYL-1H-PYRAZOL-5- YL]PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBOXAMIDE | 4hge | B | G858 | VVQ | | 5-(2-AMINOPYRIMIDIN-4-YL)-2-(5-CHLORO-2- METHYLPHENYL)-1H-PYRROLE-3-CARBOXAMIDE | 4d0w | A | G858 | 953 | | 5-(2-AMINOPYRIMIDIN-4-YL)-2-[2-CHLORO-5- (TRIFLUOROMETHYL)PHENYL]-1H-PYRROLE-3- CARBOXAMIDE | 4d0x | A | G858 | BJG | | 2-(5-CHLORO-2-METHYLPHENYL)-1-METHYL-5-(2- {[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]AMINO} PYRIMIDIN-4-YL)-1H-PYRROLE-3-CARBOXAMIDE | 4d1s | A | G858 | 50Y | | N,N-DICYCLOPROPYL-6-ETHYL-4-[(3-METHOXYPROPYL)AMINO]-1- METHYL-1,6-DIHYDROIMIDAZO[4,5-D]PYRROLO[2,3- B]PYRIDINE-7-CARBOXAMIDE | 5cf4 | A | G858 | 50W | | N,N-DICYCLOPROPYL-4-[(4,5-DIMETHYL-1,3-THIAZOL-2-YL) AMINO]-6-ETHYL-1-METHYL-1,6-DIHYDROIMIDAZO[4,5- D]PYRROLO[2,3-B]PYRIDINE-7-CARBOXAMIDE | 5cf5 | A | G858 | 50O | | N,N-DICYCLOPROPYL-6-[(2S)-2,3-DIHYDROXYPROPYL]-1- METHYL-4-(METHYLAMINO)-1,6-DIHYDROIMIDAZO[4,5- D]PYRROLO[2,3-B]PYRIDINE-7-CARBOXAMIDE | 5cf6 | B | G858 | 50V | | N,N-DICYCLOPROPYL-4-[(1,5-DIMETHYL-1H-PYRAZOL-3-YL) AMINO]-6-ETHYL-1-METHYL-1,6-DIHYDROIMIDAZO[4,5- D]PYRROLO[2,3-B]PYRIDINE-7-CARBOXAMIDE | 5cf8 | A | G858 | MI1 | | CP-690,550 | 3fup | B | G858 V911 | NVB | | N-METHYL-4-[3-(3,4,5-TRIMETHOXYPHENYL)QUINOXALIN-5-YL]BENZENESULFONAMIDE | 3lpb | A | G858 V911 | 88A | | 8-(4-METHYLSULFONYLPHENYL)-N-(4-MORPHOLIN-4-YLPHENYL)-[1,2,4]TRIAZOLO[1,5-A]PYRIDIN-2-AMINE | 4aqc | A | G858 V911 | 88A | | 8-(4-METHYLSULFONYLPHENYL)-N-(4-MORPHOLIN-4-YLPHENYL)-[1,2,4]TRIAZOLO[1,5-A]PYRIDIN-2-AMINE | 4aqc | B | G858 V911 | 0NU | | 3-[(3R)-3-(IMIDAZO[4,5-D]PYRROLO[2,3-B]PYRIDIN-1(6H)- YL)PIPERIDIN-1-YL]-3-OXOPROPANENITRILE | 4e6d | B | G858 V911 | 0NV | | 1-(1-BENZYLPIPERIDIN-4-YL)-1,6-DIHYDROIMIDAZO[4,5- D]PYRROLO[2,3-B]PYRIDINE | 4e6q | B | G858 V911 | 1M3 | | N-TERT-BUTYL-3-[(5-METHYL-2-{[4-(4-METHYLPIPERAZIN-1- YL)PHENYL]AMINO}PYRIMIDIN-4-YL) AMINO]BENZENESULFONAMIDE | 4ji9 | A | G858 V911 | 1M3 | | N-TERT-BUTYL-3-[(5-METHYL-2-{[4-(4-METHYLPIPERAZIN-1- YL)PHENYL]AMINO}PYRIMIDIN-4-YL) AMINO]BENZENESULFONAMIDE | 4ji9 | B | G858 V911 | 2HB | G146034 | N-(5-{4-[(1,1-DIOXIDOTHIOMORPHOLIN-4-YL) METHYL]PHENYL}[1,2,4]TRIAZOLO[1,5-A]PYRIDIN-2-YL) CYCLOPROPANECARBOXAMIDE | 4p7e | B | G858 V911 | QUP | | 1-(5-CHLORO-2-METHYLPHENYL)-4-(PYRROLO[2,1-F] [1,2,4]TRIAZIN-4-YL)-1H-PYRROLE-2- CARBOXAMIDE | 5aep | A | G858 V911 | ATP | | ATP | 4fvq | A | T555 T557 I559 L579 Q626 E627 L680 | ATP | | ATP | 4fvr | A | T555 T557 I559 L579 Q626 E627 L680 | JZH | | (3S)-3-(4-HYDROXYPHENYL)-1,5-DIHYDRO-1,5,12-TRIAZABENZO[4,5]CYCLOOCTA[1,2,3-CD]INDEN-4(3H)-ONE | 3jy9 | A | V911 | 3KC | | 3-CHLORO-4-(4H-3,4,7-TRIAZADIBENZO[CD,F]AZULEN-6-YL)PHENOL | 3kck | A | V911 | NVB | | N-METHYL-4-[3-(3,4,5-TRIMETHOXYPHENYL)QUINOXALIN-5-YL]BENZENESULFONAMIDE | 3lpb | B | V911 | 17P | | 1-(CYCLOHEXYLAMINO)-7-(1-METHYL-1H-PYRAZOL-4-YL)-5H-PYRIDO[4,3-B]INDOLE-4-CARBOXAMIDE | 3rvg | A | V911 | 0X2 | | 2,6-DICHLORO-N-(2-OXO-2,5-DIHYDROPYRIDIN-4-YL)BENZAMIDE | 4gfm | A | V911 | 1K3 | | 5-(4-METHOXYPHENYL)-N-[4-(4-METHYLPIPERAZIN-1-YL) PHENYL][1,2,4]TRIAZOLO[1,5-A]PYRIDIN-2-AMINE | 4jia | A | V911 | 2HB | G146034 | N-(5-{4-[(1,1-DIOXIDOTHIOMORPHOLIN-4-YL) METHYL]PHENYL}[1,2,4]TRIAZOLO[1,5-A]PYRIDIN-2-YL) CYCLOPROPANECARBOXAMIDE | 4p7e | A | V911 | 4HW | | N~3~-PHENYL-1-[6-(PHENYLAMINO)PYRIMIDIN-4-YL]-1H-1,2,4- TRIAZOLE-3,5-DIAMINE | 4ytc | A | V911 | VJK | DECERNOTINIB, ADELATINIB, VX-509 | (2R)-2-METHYL-2-[[2-(1H-PYRROLO[2,3-B]PYRIDIN-3-YL) PYRIMIDIN-4-YL]AMINO]-N-[2,2,2-TRIS(FLUORANYL) ETHYL]BUTANAMIDE | 4yti | A | V911 | 046 | | 5-{[6-(ACETYLAMINO)PYRIMIDIN-4-YL]OXY}-N-{4-[(4-METHYLPIPERAZIN-1-YL)METHYL]-3-(TRIFLUOROMETHYL)PHENYL}-1H-INDOLE-1-CARBOXAMIDE | 3ugc | A | V911 I992 |
LBS | AA sequence | # species | Species |
A880 | TGEVVAVKKLQ | 3 | Homo sapiens, Mus musculus, Rattus norvegicus | D939 | YGSLRDYLQKH | 3 | Homo sapiens, Mus musculus, Rattus norvegicus | D994 | RVKIGDFGLTK | 3 | Homo sapiens, Mus musculus, Rattus norvegicus | E627 | NILVQEFVKFG | 3 | Homo sapiens, Mus musculus, Rattus norvegicus | E898 | RDFEREIEILK | 3 | Homo sapiens, Mus musculus, Rattus norvegicus | E930 | LRLIMEYLPYG | 2 | Mus musculus, Rattus norvegicus | E930 | LKLIMEYLPYG | 1 | Homo sapiens | F628 | ILVQEFVKFGS | 3 | Homo sapiens, Mus musculus, Rattus norvegicus | F860 | LGKGNFGSVEM | 3 | Homo sapiens, Mus musculus, Rattus norvegicus | F995 | VKIGDFGLTKV | 3 | Homo sapiens, Mus musculus, Rattus norvegicus | G554 | ESLGQGTFTKI | 3 | Homo sapiens, Mus musculus, Rattus norvegicus | G856 | FLQQLGKGNFG | 3 | Homo sapiens, Mus musculus, Rattus norvegicus | G858 | QQLGKGNFGSV | 3 | Homo sapiens, Mus musculus, Rattus norvegicus | G861 | GKGNFGSVEMC | 3 | Homo sapiens, Mus musculus, Rattus norvegicus | G935 | EYLPYGSLRDY | 3 | Homo sapiens, Mus musculus, Rattus norvegicus | G993 | NRVKIGDFGLT | 3 | Homo sapiens, Mus musculus, Rattus norvegicus | H974 | TKRYIHRDLAT | 3 | Homo sapiens, Mus musculus, Rattus norvegicus | I559 | GTFTKIFKGVR | 3 | Homo sapiens, Mus musculus, Rattus norvegicus | I910 | LQHDNIVKYKG | 3 | Homo sapiens, Mus musculus, Rattus norvegicus | I973 | GTKRYIHRDLA | 3 | Homo sapiens, Mus musculus, Rattus norvegicus | I982 | LATRNILVENE | 3 | Homo sapiens, Mus musculus, Rattus norvegicus | I992 | ENRVKIGDFGL | 3 | Homo sapiens, Mus musculus, Rattus norvegicus | K581 | TEVLLKVLDKA | 3 | Homo sapiens, Mus musculus, Rattus norvegicus | K677 | GNVCAKNILLI | 3 | Homo sapiens, Mus musculus, Rattus norvegicus | K857 | LQQLGKGNFGS | 3 | Homo sapiens, Mus musculus, Rattus norvegicus | K882 | EVVAVKKLQHS | 3 | Homo sapiens, Mus musculus, Rattus norvegicus | K943 | RDYLQKHKERI | 3 | Homo sapiens, Mus musculus, Rattus norvegicus | L551 | IFNESLGQGTF | 3 | Homo sapiens, Mus musculus, Rattus norvegicus | L579 | HETEVLLKVLD | 2 | Homo sapiens, Rattus norvegicus | L579 | HKTEVLLKVLD | 1 | Mus musculus | L680 | CAKNILLIREE | 3 | Homo sapiens, Mus musculus, Rattus norvegicus | L855 | KFLQQLGKGNF | 3 | Homo sapiens, Mus musculus, Rattus norvegicus | L902 | REIEILKSLQH | 3 | Homo sapiens, Mus musculus, Rattus norvegicus | L905 | EILKSLQHDNI | 3 | Homo sapiens, Mus musculus, Rattus norvegicus | L927 | RRNLRLIMEYL | 2 | Mus musculus, Rattus norvegicus | L927 | RRNLKLIMEYL | 1 | Homo sapiens | L932 | LIMEYLPYGSL | 3 | Homo sapiens, Mus musculus, Rattus norvegicus | L967 | KGMEYLGTKRY | 3 | Homo sapiens, Mus musculus, Rattus norvegicus | L983 | ATRNILVENEN | 3 | Homo sapiens, Mus musculus, Rattus norvegicus | M929 | NLRLIMEYLPY | 2 | Mus musculus, Rattus norvegicus | M929 | NLKLIMEYLPY | 1 | Homo sapiens | N678 | NVCAKNILLIR | 3 | Homo sapiens, Mus musculus, Rattus norvegicus | N981 | DLATRNILVEN | 3 | Homo sapiens, Mus musculus, Rattus norvegicus | P933 | IMEYLPYGSLR | 3 | Homo sapiens, Mus musculus, Rattus norvegicus | Q626 | ENILVQEFVKF | 3 | Homo sapiens, Mus musculus, Rattus norvegicus | Q853 | HLKFLQQLGKG | 3 | Homo sapiens, Mus musculus, Rattus norvegicus | Q854 | LKFLQQLGKGN | 3 | Homo sapiens, Mus musculus, Rattus norvegicus | R980 | RDLATRNILVE | 3 | Homo sapiens, Mus musculus, Rattus norvegicus | S633 | FVKFGSLDTYL | 3 | Homo sapiens, Mus musculus, Rattus norvegicus | S862 | KGNFGSVEMCR | 3 | Homo sapiens, Mus musculus, Rattus norvegicus | S936 | YLPYGSLRDYL | 3 | Homo sapiens, Mus musculus, Rattus norvegicus | T555 | SLGQGTFTKIF | 3 | Homo sapiens, Mus musculus, Rattus norvegicus | T557 | GQGTFTKIFKG | 3 | Homo sapiens, Mus musculus, Rattus norvegicus | V629 | LVQEFVKFGSL | 3 | Homo sapiens, Mus musculus, Rattus norvegicus | V863 | GNFGSVEMCRY | 3 | Homo sapiens, Mus musculus, Rattus norvegicus | V911 | QHDNIVKYKGV | 3 | Homo sapiens, Mus musculus, Rattus norvegicus | Y931 | RLIMEYLPYGS | 2 | Mus musculus, Rattus norvegicus | Y931 | KLIMEYLPYGS | 1 | Homo sapiens | Y934 | MEYLPYGSLRD | 3 | Homo sapiens, Mus musculus, Rattus norvegicus |