Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02838024
You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.
You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.
Ligand | Ligand name | Chain | PDB | Tanimoto | Ligand in PDB |
---|---|---|---|---|---|
Ligand | Ligand name | Chain | PDB | Tanimoto | Ligand in PDB |
L23 | 4-[1-(2,6-dichlorobenzyl)-2-methyl- 1H-imidazol-4-yl]pyrimidin-2-amine | A,C | 2W71 | 0.73 | |
KSM | N-(2-chloro-6-methylphenyl)-8-[(3S)- 3-methylpiperazin-1-yl]imidazo[1,5- a]quinoxalin-4-amine | A | 2ZM4 | 0.72 | |
I1P | 2-[4-(N-(3-DIMETHYLAMINOPROPYL)SULPHAMOYL)ANILINO]- | A | 1URW | 0.71 | |
XME | 4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]- 1-[[4-HYDROXYIMINOMETHYL-1-(4-PYRIDINYL)- 4-PIPERIDINYL]METHYL]PIPERAZINONE | A | 1IQG | 0.72 | |
796 | N-[(1S)-2-AMINO-1-(2,4-DICHLOROBENZYL)ETHYL]- 5-[2-(METHYLAMINO)PYRIMIDIN-4-YL]THIOPHENE- 2-CARBOXAMIDE | A | 2GU8 | 0.76 | |
PRC | N-[4-METHYL-3-[[4-(3-PYRIDINYL)- 2-PYRIMIDINYL]AMINO]PHENYL]-3-PYRIDINECARBOXAMIDE | A,B | 1FPU | 0.72 | |
P5C | 2-{[(1R,2S)-2-aminocyclohexyl]amino}- 4-[(3-methylphenyl)amino]pyrimidine- 5-carboxamide | A | 3FQE | 0.73 | |
MUH | N-{4-METHYL-3-[(3-PYRIMIDIN-4-YLPYRIDIN- 2-YL)AMINO]PHENYL}-3-(TRIFLUOROMETHYL)BENZAMIDE | A | 2OSC | 0.7 | |
12C | 4-[(3S)-1-AZABICYCLO[2.2.2]OCT- 3-YLAMINO]-3-(1H-BENZIMIDAZOL-2- YL)-6-CHLOROQUINOLIN-2(1H)-ONE | A | 2GDO | 0.7 | |
STI | 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)- N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN- 2-YLAMINO)-PHENYL]-BENZAMIDE | A,B,C,D | 2HYY | 0.73 | |
STI | 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)- N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN- 2-YLAMINO)-PHENYL]-BENZAMIDE | A,B | 1IEP | 0.73 | |
STI | 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)- N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN- 2-YLAMINO)-PHENYL]-BENZAMIDE | A,B | 1OPJ | 0.73 | |
STI | 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)- N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN- 2-YLAMINO)-PHENYL]-BENZAMIDE | A | 1T46 | 0.73 | |
STI | 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)- N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN- 2-YLAMINO)-PHENYL]-BENZAMIDE | A | 3GVU | 0.73 | |
STI | 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)- N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN- 2-YLAMINO)-PHENYL]-BENZAMIDE | A | 2OIQ | 0.73 | |
STI | 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)- N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN- 2-YLAMINO)-PHENYL]-BENZAMIDE | A | 3FW1 | 0.73 | |
STI | 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)- N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN- 2-YLAMINO)-PHENYL]-BENZAMIDE | A | 2PL0 | 0.73 | |
STI | 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)- N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN- 2-YLAMINO)-PHENYL]-BENZAMIDE | A | 1XBB | 0.73 | |
ZEN | T | 1J17 | 0.71 | ||
ZEN | A | 1QL9 | 0.71 | ||
ZEN | T | 1V2K | 0.71 | ||
ZEN | A | 1QL8 | 0.71 | ||
ZEN | A | 1QL7 | 0.71 | ||
3JZ | N-methyl-N-{2-[({2-[(2-oxo-2,3- dihydro-1H-indol-5-yl)amino]-5- (trifluoromethyl)pyrimidin-4-yl}amino)methyl]phenyl}methanesulfonamide | A | 3FZR | 0.71 | |
UN8 | N-(4-{[3-BUTYL-1-(2-FLUOROBENZYL)- 2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H- PURIN-8-YL]METHYL}PHENYL)-1-METHYL- 1H-IMIDAZOLE-4-SULFONAMIDE | A,B | 2GMV | 0.73 | |
406 | N-[3-(4,5'-BIPYRIMIDIN-2-YLAMINO)- 4-METHYLPHENYL]-4-{[(3S)-3-(DIMETHYLAMINO)PYRROLIDIN- 1-YL]METHYL}-3-(TRIFLUOROMETHYL)BENZAMIDE | A,B | 2E2B | 0.71 | |
DLI | (3R,4S)-1-{6-[3-(METHYLSULFONYL)PHENYL]PYRIMIDIN- 4-YL}-4-(2,4,5-TRIFLUOROPHENYL)PYRROLIDIN- 3-AMINE | B | 2OAG | 0.72 | |
XMJ | 4-[[(1E)-2-(4-CHLOROPHENYL)ETHENYL]SULFONYL]- 1-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINONE | A | 1IQL | 0.72 | |
L17 | L17 | A,B | 1Z71 | 0.71 | |
MA9 | (3R,4R)-1-{6-[3-(METHYLSULFONYL)PHENYL]PYRIMIDIN- 4-YL}-4-(2,4,5-TRIFLUOROPHENYL)PIPERIDIN- 3-AMINE | A | 2OQV | 0.71 | |
255 | N-(tert-butyl)-4-[5-(pyridin-2- ylamino)quinolin-3-yl]benzenesulfonamide | A,B | 2R9S | 0.74 | |
778 | 4-[(5-{[4-(3-CHLOROPHENYL)-3-OXOPIPERAZIN- 1-YL]METHYL}-1H-IMIDAZOL-1-YL)METHYL]BENZONITRILE | B,C,D,F,G,H, I,J,K,L | 1S64 | 0.75 | |
778 | 4-[(5-{[4-(3-CHLOROPHENYL)-3-OXOPIPERAZIN- 1-YL]METHYL}-1H-IMIDAZOL-1-YL)METHYL]BENZONITRILE | B | 1S63 | 0.75 | |
XMF | 4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]- 1-[[4-HYDROXYMETHYL-1-(4-PYRIDINYL)- 4-PIPERIDINYL]METHYL]PIPERAZINONE | A | 1IQH | 0.7 | |
HM2 | 5-CHLORO-6-METHYL-N-(2-PHENYLETHYL)- 2-PYRIDIN-2-YLPYRIMIDIN-4-AMINE | A | 2G6P | 0.74 | |
1MS | N-[(4-methylpyrimidin-2-yl)carbamoyl]- 2-nitrobenzenesulfonamide | A | 3E9Y | 0.71 | |
880 | CYCLOHEXYL-{4-[5-(3,4-DICHLOROPHENYL)- 2-PIPERIDIN-4-YL-3-PROPYL-3H-IMIDAZOL- 4-YL]-PYRIMIDIN-2-YL}AMINE | A | 1PMQ | 0.73 | |
RAJ | N-{3-[3-(DIMETHYLAMINO)PROPYL]- 5-(TRIFLUOROMETHYL)PHENYL}-4-METHYL- 3-[(3-PYRIMIDIN-4-YLPYRIDIN-2-YL)AMINO]BENZAMIDE | X | 2OO8 | 0.7 | |
RAJ | N-{3-[3-(DIMETHYLAMINO)PROPYL]- 5-(TRIFLUOROMETHYL)PHENYL}-4-METHYL- 3-[(3-PYRIMIDIN-4-YLPYRIDIN-2-YL)AMINO]BENZAMIDE | A | 3BE2 | 0.7 | |
45B | 4-{[2-({4-[2-(4-acetylpiperazin- 1-yl)-2-oxoethyl]phenyl}amino)- 5-fluoropyrimidin-4-yl]amino}-N- (2-chlorophenyl)benzamide | A,B,C | 3H0Z | 0.74 | |
WAI | 4-{2-[4-(2-AMINOETHYL)PIPERAZIN- 1-YL]PYRIDIN-4-YL}-N-(3-CHLORO- 4-METHYLPHENYL)PYRIMIDIN-2-AMINE | A | 1Y2F | 0.74 | |
XMI | 4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]- 1-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINONE | A | 1IQK | 0.73 | |
FXA | N-(2-(((5-CHLORO-2-PYRIDINYL)AMINO)SULFONYL)PHENYL)- 4-(2-OXO-1(2H)-PYRIDINYL)BENZAMIDE | A | 3CEN | 0.77 | |
T15 | 2-{3-[(benzylsulfonyl)amino]-6- methyl-2-oxopyridin-1(2H)-yl}-N- ({1-[2-(tert-butylamino)-2-oxoethyl]- 4-methyl-1H-imidazol-5-yl}methyl)acetamide | A,B | 3C1K | 0.71 | |
BII | 2-{[5-CHLORO-2-({(1E,4R)-2-METHOXY- 4-[(3R)-3-(METHYLAMINO)PYRROLIDIN- 1-YL]CYCLOHEXA-2,5-DIEN-1-YLIDENE}AMINO)PYRIMIDIN- 4-YL]AMINO}-N-(1-METHYLETHYL)BENZENESULFONAMIDE | A | 2JKM | 0.74 | |
KSF | N-(2-chlorophenyl)-5-phenylimidazo[1,5- a]pyrazin-8-amine | A | 2ZM1 | 0.73 | |
CC3 | N-{3-[(4-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}PYRIMIDIN- 2-YL)AMINO]PHENYL}CYCLOPROPANECARBOXAMIDE | A | 2NP8 | 0.71 | |
1N8 | N-{2-[(N,N-DIETHYLGLYCYL)AMINO]- 5-(TRIFLUOROMETHYL)PHENYL}-4-METHYL- 3-[2-(METHYLAMINO)QUINAZOLIN-6- YL]BENZAMIDE | A,B | 2OG8 | 0.7 | |
274 | (3Z)-N-(3-CHLOROPHENYL)-3-({3,5- DIMETHYL-4-[(4-METHYLPIPERAZIN- 1-YL)CARBONYL]-1H-PYRROL-2-YL}METHYLENE)- N-METHYL-2-OXOINDOLINE-5-SULFONAMIDE | A | 2J7T | 0.7 | |
PB4 | N,N'-BIS(4-FLUORO-3-METHYLBENZYL)PYRIMIDINE- 4,6-DICARBOXAMIDE | A,B | 1XUD | 0.71 | |
MPZ | 4-[(4-METHYLPIPERAZIN-1-YL)METHYL]- N-{3-[(4-PYRIDIN-3-YLPYRIMIDIN- 2-YL)AMINO]PHENYL}BENZAMIDE | A | 1Y57 | 0.73 | |
170 | (2-[6-CHLORO-3-{[2,2-DIFLUORO-2- (1-OXIDOPYRIDIN-2-YL)ETHYL]AMINO}- 2-OXOPYRAZIN-1(2H)-YL]-N-[5-CHLORO- 2-(1H-TETRAZOL-1-YL)BENZYL]ACETAMIDE | A,B | 1SL3 | 0.75 | |
J07 | 4-{[5-chloro-4-(1H-indol-3-yl)pyrimidin- 2-yl]amino}-N-ethylpiperidine-1- carboxamide | A | 2P33 | 0.73 | |
S48 | METHYL N-{(3S)-1-[(1-METHYL-1H- IMIDAZOL-5-YL)METHYL]-6-PHENYL- 1,2,3,4-TETRAHYDROQUINOLIN-3-YL}- N-[(1-METHYL-1H-IMIDAZOL-4-YL)SULFONYL]GLYCINATE | A,B | 2IEJ | 0.7 | |
984 | CYCLOPROPYL-{4-[5-(3,4-DICHLOROPHENYL)- 2-[(1-METHYL)-PIPERIDIN]-4-YL-3- PROPYL-3H-IMIDAZOL-4-YL]-PYRIMIDIN- 2-YL}AMINE | A | 1PMN | 0.72 | |
1N1 | N-(2-CHLORO-6-METHYLPHENYL)-2-({6- [4-(2-HYDROXYETHYL)PIPERAZIN-1- YL]-2-METHYLPYRIMIDIN-4-YL}AMINO)- 1,3-THIAZOLE-5-CARBOXAMIDE | A,B | 2GQG | 0.74 | |
1N1 | N-(2-CHLORO-6-METHYLPHENYL)-2-({6- [4-(2-HYDROXYETHYL)PIPERAZIN-1- YL]-2-METHYLPYRIMIDIN-4-YL}AMINO)- 1,3-THIAZOLE-5-CARBOXAMIDE | A | 2ZVA | 0.74 | |
HDT | 4-[(4-IMIDAZO[1,2-A]PYRIDIN-3-YLPYRIMIDIN- 2-YL)AMINO]BENZENESULFONAMIDE | A | 1OIT | 0.73 | |
JAN | 6-[(S)-AMINO(4-CHLOROPHENYL)(1- METHYL-1H-IMIDAZOL-5-YL)METHYL]- 4-(3-CHLOROPHENYL)-1-METHYLQUINOLIN- 2(1H)-ONE | B | 1X81 | 0.74 | |
JAN | 6-[(S)-AMINO(4-CHLOROPHENYL)(1- METHYL-1H-IMIDAZOL-5-YL)METHYL]- 4-(3-CHLOROPHENYL)-1-METHYLQUINOLIN- 2(1H)-ONE | B | 1SA4 | 0.74 | |
P17 | 6-(2,6-DICHLORO-PHENYL)-8-METHYL- 2-(3-METHYLSULFANYL-PHENYLAMINO)- 8H-PYRIDO[2,3-D]PYRIMIDIN-7-ONE | A,B | 1M52 | 0.75 | |
U55 | 4-[(6-AMINO-4-PYRIMIDINYL)AMINO]BENZENESULFONAMIDE | A | 1JSV | 0.7 | |
349 | 5-{[4-{[2-(pyrrolidin-1-ylsulfonyl)benzyl]amino}- 5-(trifluoromethyl)pyrimidin-2- yl]amino}-1,3-dihydro-2H-indol- 2-one | A | 3ET7 | 0.8 | |
PB3 | N,N'-BIS(3-METHYLBENZYL)PYRIMIDINE- 4,6-DICARBOXAMIDE | A,B | 1XUC | 0.72 | |
FRV | 4-{[4-(1-CYCLOPROPYL-2-METHYL-1H- IMIDAZOL-5-YL)PYRIMIDIN-2-YL]AMINO}- N-METHYLBENZENESULFONAMIDE | A | 2W06 | 0.74 | |
NIL | Nilotinib | A,B,C,D | 3CS9 | 0.71 | |
NIL | Nilotinib | A | 3GP0 | 0.71 | |
FRT | N-(2-METHOXYETHYL)-4-({4-[2-METHYL- 1-(1-METHYLETHYL)-1H-IMIDAZOL-5- YL]PYRIMIDIN-2-YL}AMINO)BENZENESULFONAMIDE | A | 2W05 | 0.73 | |
RBS | N-(4-PHENYLAMINO-QUINAZOLIN-6-YL)- ACRYLAMIDE | A,B | 2HWO | 0.71 | |
97B | 9-chloro-7-(2,6-difluorophenyl)- N-{4-[(4-methylpiperazin-1-yl)carbonyl]phenyl}- 5H-pyrimido[5,4-d][2]benzazepin- 2-amine | A,B,D | 3H10 | 0.73 | |
628 | 4-{[6-(2,6-DICHLOROBENZOYL)IMIDAZO[1,2- A]PYRIDIN-2-YL]AMINO}BENZENESULFONAMIDE | A | 1YKR | 0.74 | |
ED5 | tert-butyl 4-({(2-{(4-cyanophenyl)[(1- methyl-1H-imidazol-5-yl)methyl]amino}ethyl)[(2- methylphenyl)sulfonyl]amino}methyl)piperidine- 1-carboxylate | B | 3E37 | 0.72 | |
JIN | 6-(2,6-DICHLOROPHENYL)-2-[(4-FLUORO- 3-METHYLPHENYL)AMINO]-8-METHYLPYRIDO[2,3- D]PYRIMIDIN-7(8H)-ONE | A,B | 2HZI | 0.73 | |
AA2 | 4-ARYL-2-PHENYLAMINO PYRIMIDINE | A | 1OEC | 0.73 | |
RRR | 4-{[(E)-2-(5-CHLOROTHIEN-2-YL)VINYL]SULFONYL}- 1-(1H-PYRROLO[3,2-C]PYRIDIN-2-YLMETHYL)PIPERAZIN- 2-ONE | A | 1NFW | 0.71 | |
D91 | 5-CHLORO-2-({3-ISOBUTYL-4-[(5-PYRIDIN- 4-YLPYRIMIDIN-2-YL)CARBONYL]PIPERAZIN- 1-YL}SULFONYL)-1H-INDOLE | A | 1WU1 | 0.8 | |
5MS | N-{2-methyl-5-[(6-phenylpyrimidin- 4-yl)amino]phenyl}methanesulfonamide | A | 3EXO | 0.74 | |
SR2 | (2E)-N-{4-[(3-bromophenyl)amino]quinazolin- 6-yl}-4-(dimethylamino)but-2-enamide | A,B | 2QQ7 | 0.7 | |
SR2 | (2E)-N-{4-[(3-bromophenyl)amino]quinazolin- 6-yl}-4-(dimethylamino)but-2-enamide | A,B | 2QLQ | 0.7 | |
XMB | 4-[(2R)-3-[[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]AMINO]- 1-OXO-2-[[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]AMINO]PROPYL]- THIOMORPHOLINE-1,1-DIOXIDE | A | 1IQE | 0.72 | |
C02 | 4-(5-BENZENESULFONYLAMINO-1-METHYL- 1H-BENZOIMIDAZOL-2-YLMETHYL)-BENZAMIDINE | B,C | 1KTT | 0.7 | |
ED7 | N-benzyl-N-(2-{(4-cyanophenyl)[(1- methyl-1H-imidazol-5-yl)methyl]amino}ethyl)- 2-methylbenzenesulfonamide | B | 3E33 | 0.72 | |
P1E | 4-{[4-{[(1R,2R)-2-(dimethylamino)cyclopentyl]amino}- 5-(trifluoromethyl)pyrimidin-2- yl]amino}-N-methylbenzenesulfonamide | A | 3H3C | 0.75 | |
LI9 | 4-(4-FLUOROPHENYL)-1-METHYL-5-(2- {[(1S)-1-PHENYLETHYL]AMINO}PYRIMIDIN- 4-YL)-2-PIPERIDIN-4-YL-1,2-DIHYDRO- 3H-PYRAZOL-3-ONE | A | 1YWR | 0.74 |