Ligand ID | Ligand short name | Ligand long name | PDB ID | PDB name | mutLBS |
DW2 | | RU-PYRIDOCARBAZOLE-2 | 3csf | A | A885 | MMY | | 5-(2-MORPHOLIN-4-YL-7-PYRIDIN-3-YL-6,7-DIHYDRO-5H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)-PYRIMIDIN-2-YLAMINE | 3apd | A | E880 | 0SE | | 2-(1-{[2-(2-AMINOPYRIMIDIN-5-YL)-4-(MORPHOLIN-4-YL) PYRIDO[3,2-D]PYRIMIDIN-6-YL]METHYL}PIPERIDIN-4-YL) PROPAN-2-OL | 4ezl | A | E880 | ZW3 | | N-{6-[(Z)-(2,4-DIOXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]IMIDAZO[1,2-A]PYRIDIN-2-YL}ACETAMIDE | 3zw3 | A | E880 A885 | MMD | | 5-(7-METHANESULFONYL-2-MORPHOLIN-4-YL-6,7-DIHYDRO-5H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)-PYRIMIDIN-2-YLAMINE | 3apc | A | L838 E880 | NPZ | | 1-METHYL-3-NAPHTHALEN-2-YL-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINE | 3ene | A | L838 E880 | JZX | | 5-(6-{[4-(METHYLSULFONYL)PIPERAZIN-1-YL]METHYL}-4-MORPHOLIN-4-YLTHIENO[3,2-D]PYRIMIDIN-2-YL)PYRIDIN-2-AMINE | 3l16 | A | L838 E880 | JZY | | 4-METHYL-5-(6-{[4-(METHYLSULFONYL)PIPERAZIN-1-YL]METHYL}-4-MORPHOLIN-4-YLTHIENO[3,2-D]PYRIMIDIN-2-YL)PYRIMIDIN-2-AMINE | 3l17 | A | L838 E880 | 13K | | N~6~-(3,4-DIMETHOXYPHENYL)-2-(MORPHOLIN-4-YL)-4,5'- BIPYRIMIDINE-2',6-DIAMINE | 3tjp | A | L838 E880 | 980 | | (2S)-1-(4-{[2-(2-AMINOPYRIMIDIN-5-YL)-7-METHYL-4-(MORPHOLIN-4-YL)THIENO[3,2-D]PYRIMIDIN-6-YL]METHYL}PIPERAZIN-1-YL)-2-HYDROXYPROPAN-1-ONE | 3tl5 | A | L838 E880 | L64 | | 1-(4-{4-MORPHOLIN-4-YL-1-[1-(PYRIDIN-3-YLCARBONYL)PIPERIDIN-4-YL]-1H-PYRAZOLO[3,4-D]PYRIMIDIN-6-YL}PHENYL)-3-PYRIDIN-4-YLUREA | 3ibe | A | L838 Q840 E880 | JZW | | [3-(6-{[4-(METHYLSULFONYL)PIPERAZIN-1-YL]METHYL}-4-MORPHOLIN-4-YLTHIENO[3,2-D]PYRIMIDIN-2-YL)PHENYL]METHANOL | 3l13 | A | L838 Y867 E880 | 3PS | | 4-AMINO-N-(6-METHOXYPYRIDIN-3-YL)-2-METHYLQUINAZOLINE-8-CARBOXAMIDE | 3ps6 | A | L838 Y867 E880 | 0KO | | 4-(2-[(6-METHOXYPYRIDIN-3-YL)AMINO]-5-{[4-(METHYLSULFONYL)PIPERAZIN-1-YL]METHYL}PYRIDIN-3-YL)-6-METHYL-1,3,5-TRIAZIN-2-AMINE | 4dk5 | A | L838 Y867 E880 | 14K | | 4-(2-[(5-FLUORO-6-METHOXYPYRIDIN-3-YL)AMINO]-5-{(1R)-1- [4-(METHYLSULFONYL)PIPERAZIN-1-YL]ETHYL}PYRIDIN-3-YL)- 6-METHYL-1,3,5-TRIAZIN-2-AMINE | 4flh | A | L838 Y867 E880 | 2WK | | N-[6-(5,6-DIMETHOXYPYRIDIN-3-YL)-1,3-BENZOTHIAZOL-2- YL]ACETAMIDE | 4ps8 | A | L838 Y867 E880 A885 | QYT | | 5-QUINOXALIN-6-YLMETHYLENE-THIAZOLIDINE-2,4-DIONE | 2a5u | A | P810 E880 | 17V | | 2-[1-(PROPAN-2-YL)-1H-1,2,4-TRIAZOL-5-YL]-4,5- DIHYDROTHIENO[3,2-D][1]BENZOXEPINE-8-CARBOXAMIDE | 4hle | A | P810 E880 A885 | ZIG | | 2,4-DIFLUORO-N-[2-METHOXY-5-(4-PYRIDAZIN-4-YLQUINOLIN-6-YL)PYRIDIN-3-YL]BENZENESULFONAMIDE | 3l08 | A | P810 L838 Y867 E880 | SD5 | | BKM-120| | 3sd5 | A | P810 L838 Y867 E880 | 41A | | 5,5-DIMETHYL-2-MORPHOLIN-4-YL-5,6-DIHYDRO-1,3-BENZOTHIAZOL-7(4H)-ONE | 3dpd | A | P810 Y867 E880 | NZS | | 6-(1,1-DIOXIDOTHIOMORPHOLIN-4-YL)-N-(3-METHOXYPHENYL)-1-METHYL-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINE | 3nzs | A | P810 Y867 E880 | 2NQ | | N-{2-CHLORO-5-[4-(MORPHOLIN-4-YL)QUINOLIN-6-YL]PYRIDIN-3-YL}-4-FLUOROBENZENESULFONAMIDE | 3s2a | A | P810 Y867 E880 | 751 | | 2-{4-[(4'-METHOXYBIPHENYL-3-YL)SULFONYL]PIPERAZIN-1-YL}-3-(4-METHOXYPHENYL)PYRAZINE | 4anv | A | P810 Y867 E880 | O92 | | 3-AMINO-6-{4-CHLORO-3-[(2,3-DIFLUOROPHENYL)SULFAMOYL]PHENYL}-N-METHYLPYRAZINE-2-CARBOXAMIDE | 4anw | A | P810 Y867 E880 | F1S | | N-(5-{[3-(4-AMINO-6-METHYL-1,3,5-TRIAZIN-2-YL)-5- (TETRAHYDRO-2H-PYRAN-4-YL)PYRIDIN-2-YL]AMINO}-2- CHLOROPYRIDIN-3-YL)METHANESULFONAMIDE | 4f1s | A | P810 Y867 E880 | 0W7 | | 2-[4-(MORPHOLIN-4-YL)-6-OXO-1,6-DIHYDROPYRIMIDIN-2-YL]- N-PHENYLACETAMIDE | 4g11 | A | P810 Y867 E880 | 0WR | | 2-[1-({2-[2-(DIMETHYLAMINO)-1H-BENZIMIDAZOL-1-YL]-9- METHYL-6-(MORPHOLIN-4-YL)-9H-PURIN-8-YL}METHYL) PIPERIDIN-4-YL]PROPAN-2-OL | 4gb9 | A | P810 Y867 E880 | 3VE | | N-{(1S)-1-[8-CHLORO-2-(2-METHYLPYRIDIN-3-YL)QUINOLIN-3- YL]ETHYL}-9H-PURIN-6-AMINE | 4wwp | A | P810 Y867 E880 | STU | | STAUROSPORINE | 1e8z | A | P810 Y867 E880 A885 | BYM | | (5E)-5-[(2,2-DIFLUORO-1,3-BENZODIOXOL-5-YL)METHYLENE]-1,3-THIAZOLIDINE-2,4-DIONE | 2a4z | A | P810 Y867 E880 A885 | QJZ | | N-{6-[2-(METHYLSULFANYL)PYRIMIDIN-4-YL]-1,3-BENZOTHIAZOL-2-YL}ACETAMIDE | 3qjz | A | P810 Y867 E880 A885 | QK0 | | N-[6-(6-CHLORO-5-{[(4-FLUOROPHENYL)SULFONYL]AMINO}PYRIDIN-3-YL)-1,3-BENZOTHIAZOL-2-YL]ACETAMIDE | 3qk0 | A | P810 Y867 E880 A885 | 7L0 | | N-[6-(5-METHYLSULFONYLPYRIDIN-3-YL)-[1,2,4]TRIAZOLO[1,5-A]PYRIDIN-2-YL]ETHANAMIDE | 4aof | A | P810 Y867 E880 A885 | FJY | | 4-[3,3-DIMETHYL-6-(MORPHOLIN-4-YL)-2,3-DIHYDRO-1H- INDOL-1-YL]-7-FLUORO-3-METHYL-2-(PYRIDIN-3-YL) QUINOLINE | 4fjy | A | P810 Y867 E880 A885 | 0VU | | 4-({4-[3-(PIPERIDIN-1-YLCARBONYL)PHENYL]PYRIMIDIN-2- YL}AMINO)BENZENESULFONAMIDE | 4ful | A | P810 Y867 E880 A885 | 2WH | | 1-[6-(5-METHOXYPYRIDIN-3-YL)-1,3-BENZOTHIAZOL-2-YL]-3- [2-(1-PROPYL-1H-IMIDAZOL-4-YL)ETHYL]UREA | 4ps3 | A | P810 Y867 E880 A885 | 3VD | | N-{(1S)-1-[8-CHLORO-2-(3-FLUOROPHENYL)QUINOLIN-3- YL]ETHYL}-9H-PURIN-6-AMINE | 4wwo | A | P810 Y867 E880 A885 | 4FJ | | 1'-[7-FLUORO-3-METHYL-2-(PYRIDIN-2-YL)QUINOLIN-4-YL]- 6'-(MORPHOLIN-4-YL)-1',2,2',3,5,6- HEXAHYDROSPIRO[PYRAN-4,3'-PYRROLO[3,2-B]PYRIDINE] | 4fjz | A | V803 P810 E880 | 039 | | PIK-39 | 2chw | A | V803 P810 E880 A885 | 3VC | | N-{(1S)-1-[7-FLUORO-2-(PYRIDIN-2-YL)QUINOLIN-3- YL]ETHYL}-9H-PURIN-6-AMINE | 4wwn | A | V803 P810 Y867 E880 A885 | 5MT | | 4-AZANYL-6-[[(1~{S})-1-[6-FLUORANYL-1-(3- METHYLSULFONYLPHENYL)BENZIMIDAZOL-2- YL]ETHYL]AMINO]PYRIMIDINE-5-CARBONITRILE | 5eds | A | V803 P810 Y867 E880 A885 | ABJ | | 3-[4-AMINO-1-(1-METHYLETHYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-3-YL]PHENOL | 2v4l | A | Y867 E880 | BMW | | 3-[7-(1H-BENZIMIDAZOL-5-YL)-2-(MORPHOLIN-4-YL)-6,7-DIHYDRO-5H-PYRROLO[2,3-D]PYRIMIDIN-4-YL]PHENOL | 3apf | A | Y867 E880 | GD9 | | 2-(1H-INDAZOL-4-YL)-6-{[4-(METHYLSULFONYL)PIPERAZIN-1-YL]METHYL}-4-MORPHOLIN-4-YL-THIENO[3,2-D]PYRIMIDINE | 3dbs | A | Y867 E880 | LXX | | 6-(1H-PYRAZOLO[3,4-B]PYRIDIN-5-YL)-4-PYRIDIN-4-YLQUINOLINE | 3l54 | A | Y867 E880 | WYE | | (2Z)-4,6-DIHYDROXY-2-{[1-METHYL-4-(4-METHYLPIPERAZIN-1-YL)-1H-PYRROLO[2,3-B]PYRIDIN-3-YL]METHYLIDENE}-1-BENZOFURAN-3(2H)-ONE | 3lj3 | A | Y867 E880 | WYF | | (2Z)-4,6-DIHYDROXY-2-[(8-METHOXY-1,2,3,4-TETRAHYDROPYRAZINO[1,2-A]INDOL-10-YL)METHYLIDENE]-1-BENZOFURAN-3(2H)-ONE | 3mjw | A | Y867 E880 | NZU | | 6-(2H-INDAZOL-4-YL)-1-METHYL-N-[3-(METHYLSULFONYL)PROPYL]-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINE | 3nzu | A | Y867 E880 | OAW | | 2-AMINO-4-METHYL-8-(1-METHYLETHYL)-6-(1H-PYRAZOL-4-YL)PTERIDIN-7(8H)-ONE | 3oaw | A | Y867 E880 | P2B | | 3-[2-MORPHOLIN-4-YL-6-(PYRIDIN-3-YLAMINO)PYRIMIDIN-4-YL]PHENOL | 3p2b | A | Y867 E880 | 3RE | | 2-AMINO-8-(TRANS-4-METHOXYCYCLOHEXYL)-4-METHYL-6-(1H-PYRAZOL-3-YL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE | 3pre | A | Y867 E880 | 3RZ | | 4-AMINO-2-METHYL-N-(1H-PYRAZOL-3-YL)QUINAZOLINE-8-CARBOXAMIDE | 3prz | A | Y867 E880 | QAR | | 1-(4-AMINO-6-METHYL-1,3,5-TRIAZIN-2-YL)-N-(1H-PYRAZOL-3-YL)-1H-BENZO[D]IMIDAZOL-2-AMINE | 3qar | A | Y867 E880 | FAV | | N-(2-CHLOROPHENYL)-N-METHYL-4H-THIENO[3,2-C]CHROMENE-2-CARBOXAMIDE | 3r7q | A | Y867 E880 | XAZ | | 5,7-DIMETHYLPYRAZOLO[1,5-A]PYRIMIDIN-2-AMINE | 3zvv | A | Y867 E880 | EM7 | | 3-AMINO-N-METHYL-6-[3-(1H-TETRAZOL-5-YL)PHENYL]PYRAZINE-2-CARBOXAMIDE | 4anu | A | Y867 E880 | 534 | | 5-{3-[(4-{3-[4-(1-METHYLETHYL)PHENYL]PYRAZIN-2-YL}PIPERAZIN-1-YL)SULFONYL]PHENYL}PYRIMIDIN-2-AMINE | 4anx | A | Y867 E880 | 0TZ | | 3-(4-AMINO-6-METHYL-1,3,5-TRIAZIN-2-YL)-N-(1H-PYRAZOL- 5-YL)IMIDAZO[1,2-A]PYRIDIN-2-AMINE | 4fhj | A | Y867 E880 | 0TA | | 2-AMINO-8-CYCLOPENTYL-4-METHYL-6-(1H-PYRAZOL-4-YL) PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE | 4fa6 | A | Y867 E880 | 0TB | | 2-AMINO-6-(5-FLUORO-6-METHOXYPYRIDIN-3-YL)-4-METHYL-8- (PYRROLIDIN-1-YL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE | 4fad | A | Y867 E880 | 0SC | | 2-(1-{[2-(5-FLUORO-1H-INDOL-4-YL)-4-(MORPHOLIN-4-YL) PYRIDO[3,2-D]PYRIMIDIN-6-YL]METHYL}PIPERIDIN-4-YL) PROPAN-2-OL | 4ezj | A | Y867 E880 | 0SD | | 2-(1-{[2-(2H-INDAZOL-4-YL)-4-(MORPHOLIN-4-YL)PYRIDO[3, 2-D]PYRIMIDIN-6-YL]METHYL}PIPERIDIN-4-YL)PROPAN-2-OL | 4ezk | A | Y867 E880 | 19P | | 1-{1-[(2S)-2-HYDROXYPROPANOYL]PIPERIDIN-4-YL}-3-METHYL- 8-(6-METHYLPYRIDIN-3-YL)-1,3-DIHYDRO-2H-IMIDAZO[4,5- C][1,5]NAPHTHYRIDIN-2-ONE | 4hvb | A | Y867 E880 | A82 | | 2-[[(1R)-1-(7-METHYL-2-MORPHOLIN-4-YL-4- OXIDANYLIDENE-PYRIDO[1,2-A]PYRIMIDIN-9-YL)ETHYL] AMINO]BENZOIC ACID | 4urk | A | Y867 E880 | 090 | | S1187_SELLECK | 2chx | A | Y867 E880 A885 | 093 | | PIK-93 | 2chz | A | Y867 E880 A885 | E52 | | METHYLATED RUTHENIUM PYRIDOCARBAZOLE | 3cst | A | Y867 E880 A885 | ML9 | | 2-AMINO-8-[TRANS-4-(2-HYDROXYETHOXY)CYCLOHEXYL]-6-(6-METHOXYPYRIDIN-3-YL)-4-METHYLPYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE | 3ml9 | A | Y867 E880 A885 | QAQ | | 2-(4-(2-(3-HYDROXYPHENYLAMINO)-1H-BENZO[D]IMIDAZOL-1-YL)-1,3,5-TRIAZIN-2-YLAMINO)ACETONITRILE | 3qaq | A | Y867 E880 A885 | FAZ | | 8-(ACETYLAMINO)-N-(2-CHLOROPHENYL)-N-METHYL-4,5-DIHYDROTHIENO[3,2-D][1]BENZOXEPINE-2-CARBOXAMIDE | 3r7r | A | Y867 E880 A885 | 3T8 | | N~2~-{2-CHLORO-4-[(4-METHYLPIPERAZIN-1-YL)CARBONYL]PHENYL}-N~2~,N~8~-DIMETHYL-4,5-DIHYDROTHIENO[3,2-D][1]BENZOXEPINE-2,8-DICARBOXAMIDE | 3t8m | A | Y867 E880 A885 | 0U0 | | 3-[2-METHYL-6-(PYRAZIN-2-YLAMINO)PYRIMIDIN-4-YL]-N-(1H- PYRAZOL-3-YL)IMIDAZO[1,2-B]PYRIDAZIN-2-AMINE | 4fhk | A | Y867 E880 A885 | 1UJ | | METHYL 2-(ACETYLAMINO)-1,3-BENZOTHIAZOLE-6-CARBOXYLATE | 4kz0 | A | Y867 E880 A885 | 1UK | | N-{6-[6-AMINO-5-(TRIFLUOROMETHYL)PYRIDIN-3- YL]IMIDAZO[1,2-A]PYRIDIN-2-YL}ACETAMIDE | 4kzc | A | Y867 E880 A885 | 1JV | | 2-METHYL-1-(4-{2-[1-(2,2,2-TRIFLUOROETHYL)-1H-1,2,4- TRIAZOL-5-YL]-4,5-DIHYDRO[1]BENZOXEPINO[5,4-D][1, 3]THIAZOL-8-YL}-1H-PYRAZOL-1-YL)PROPAN-2-OL | 4j6i | A | Y867 E880 A885 | 2WJ | | N-[6-(PYRIDIN-3-YL)-1,3-BENZOTHIAZOL-2-YL]ACETAMIDE | 4ps7 | A | Y867 E880 A885 | 43R | | N-[5-(5-METHOXYPYRIDIN-3-YL)-4,5,6,7-TETRAHYDRO[1, 3]THIAZOLO[5,4-C]PYRIDIN-2-YL]ACETAMIDE | 4xx5 | A | Y867 E880 A885 | ML8 | | 8-CYCLOPENTYL-6-[3-(HYDROXYMETHYL)PHENYL]-4-METHYL-2-(METHYLAMINO)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE | 3ml8 | A | Y867 E880 A885 F965 |