Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00133904
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 |
8AP | N~3~-BENZYLPYRIDINE-2,3-DIAMINE | A | 2OHM | 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 | 0.71 | |
AK2 | 1-(3-chlorophenyl)-3-{5-[2-(thieno[3,2- d]pyrimidin-4-ylamino)ethyl]-1,3- thiazol-2-yl}urea | A | 3D15 | 0.75 | |
349 | 5-{[4-{[2-(pyrrolidin-1-ylsulfonyl)benzyl]amino}- 5-(trifluoromethyl)pyrimidin-2- yl]amino}-1,3-dihydro-2H-indol- 2-one | A | 3ET7 | 0.7 | |
UI2 | 8-(PYRIMIDIN-2-YLAMINO)NAPHTHALENE- 2-CARBOXIMIDAMIDE | A | 1SQO | 0.72 | |
RBS | N-(4-PHENYLAMINO-QUINAZOLIN-6-YL)- ACRYLAMIDE | A,B | 2HWO | 0.74 | |
PRC | N-[4-METHYL-3-[[4-(3-PYRIDINYL)- 2-PYRIMIDINYL]AMINO]PHENYL]-3-PYRIDINECARBOXAMIDE | A,B | 1FPU | 0.72 | |
880 | CYCLOHEXYL-{4-[5-(3,4-DICHLOROPHENYL)- 2-PIPERIDIN-4-YL-3-PROPYL-3H-IMIDAZOL- 4-YL]-PYRIMIDIN-2-YL}AMINE | A | 1PMQ | 0.7 | |
D91 | 5-CHLORO-2-({3-ISOBUTYL-4-[(5-PYRIDIN- 4-YLPYRIMIDIN-2-YL)CARBONYL]PIPERAZIN- 1-YL}SULFONYL)-1H-INDOLE | A | 1WU1 | 0.7 | |
P45 | 2-(4-CHLOROBENZYLAMINO)-4-(PHENYLAMINO)PYRAZOLO[1,5- A][1,3,5]TRIAZINE-8-CARBONITRILE | A | 2PVK | 0.7 | |
TPB | 4-[4-(2,4,6-TRIMETHYL-PHENYLAMINO)- PYRIMIDIN-2-YLAMINO]-BENZONITRILE | A | 1S6Q | 0.78 | |
246 | 1-benzyl-3-(2-chloropyridin-4-yl)urea | A | 2QPM | 0.78 | |
KSF | N-(2-chlorophenyl)-5-phenylimidazo[1,5- a]pyrazin-8-amine | A | 2ZM1 | 0.71 | |
M04 | 1-[4-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3- d]pyrimidin-4-yl)piperidin-4-yl]methanamine | A | 2VO3 | 0.71 | |
LIH | 6-([5-QUINOLYLAMINO]METHYL)-2,4- DIAMINO-5-METHYLPYRIDO[2,3-D]PYRIMIDINE | A | 1KMS | 0.71 | |
JN5 | (2S)-1,3-benzothiazol-2-yl{2-[(2- pyridin-3-ylethyl)amino]pyrimidin- 4-yl}ethanenitrile | A | 3CY3 | 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 | 0.73 | |
M05 | 4-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3- d]pyrimidin-4-yl)piperidin-4-aminium | A | 2VO7 | 0.72 | |
M05 | 4-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3- d]pyrimidin-4-yl)piperidin-4-aminium | A | 2VO6 | 0.72 | |
C2M | 5-(3,4-DICHLOROPHENYL)-6-METHYLPYRIMIDINE- 2,4-DIAMINE | A,B | 2AOV | 0.7 | |
CC3 | N-{3-[(4-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}PYRIMIDIN- 2-YL)AMINO]PHENYL}CYCLOPROPANECARBOXAMIDE | A | 2NP8 | 0.75 | |
RW1 | 4-phenylpyrimidine | A,B,C | 3B9S | 0.72 | |
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 | |
AK7 | 1-(5-{2-[(6-amino-5-bromopyrimidin- 4-yl)amino]ethyl}-1,3-thiazol-2- yl)-3-[3-(trifluoromethyl)phenyl]urea | A | 3DJ7 | 0.74 | |
M03 | 1-[4-(4-chlorophenyl)-1-(7H-pyrrolo[2,3- d]pyrimidin-4-yl)piperidin-4-yl]methanamine | A,I | 2VO0 | 0.7 | |
LI8 | N-(3-{[5-BROMO-2-({3-[(PYRROLIDIN- 1-YLCARBONYL)AMINO]PHENYL}AMINO)PYRIMIDIN- 4-YL]AMINO}PROPYL)-2,2-DIMETHYLMALONAMIDE | A | 1Z5M | 0.72 | |
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 | 0.7 | |
STI | 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)- N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN- 2-YLAMINO)-PHENYL]-BENZAMIDE | A,B | 1IEP | 0.7 | |
STI | 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)- N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN- 2-YLAMINO)-PHENYL]-BENZAMIDE | A,B | 1OPJ | 0.7 | |
STI | 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)- N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN- 2-YLAMINO)-PHENYL]-BENZAMIDE | A | 1T46 | 0.7 | |
STI | 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)- N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN- 2-YLAMINO)-PHENYL]-BENZAMIDE | A | 3GVU | 0.7 | |
STI | 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)- N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN- 2-YLAMINO)-PHENYL]-BENZAMIDE | A | 2OIQ | 0.7 | |
STI | 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)- N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN- 2-YLAMINO)-PHENYL]-BENZAMIDE | A | 3FW1 | 0.7 | |
STI | 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)- N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN- 2-YLAMINO)-PHENYL]-BENZAMIDE | A | 2PL0 | 0.7 | |
STI | 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)- N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN- 2-YLAMINO)-PHENYL]-BENZAMIDE | A | 1XBB | 0.7 | |
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 | |
P17 | 6-(2,6-DICHLORO-PHENYL)-8-METHYL- 2-(3-METHYLSULFANYL-PHENYLAMINO)- 8H-PYRIDO[2,3-D]PYRIMIDIN-7-ONE | A,B | 1M52 | 0.78 | |
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 | 0.75 | |
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 | 0.75 | |
JIN | 6-(2,6-DICHLOROPHENYL)-2-[(4-FLUORO- 3-METHYLPHENYL)AMINO]-8-METHYLPYRIDO[2,3- D]PYRIMIDIN-7(8H)-ONE | A,B | 2HZI | 0.77 | |
AK1 | 1-{5-[2-(thieno[3,2-d]pyrimidin- 4-ylamino)ethyl]-1,3-thiazol-2- yl}-3-[3-(trifluoromethyl)phenyl]urea | A | 3D14 | 0.71 | |
245 | 1-(2-chloropyridin-4-yl)-3-phenylurea | A | 2QKN | 0.74 | |
HM2 | 5-CHLORO-6-METHYL-N-(2-PHENYLETHYL)- 2-PYRIDIN-2-YLPYRIMIDIN-4-AMINE | A | 2G6P | 0.76 | |
WAI | 4-{2-[4-(2-AMINOETHYL)PIPERAZIN- 1-YL]PYRIDIN-4-YL}-N-(3-CHLORO- 4-METHYLPHENYL)PYRIMIDIN-2-AMINE | A | 1Y2F | 0.79 | |
TH4 | {(2Z)-3-[(6-chloropyridin-3-yl)methyl]- 1,3-thiazolidin-2-ylidene}cyanamide | A,B,C,D,E | 3C84 | 0.73 | |
J07 | 4-{[5-chloro-4-(1H-indol-3-yl)pyrimidin- 2-yl]amino}-N-ethylpiperidine-1- carboxamide | A | 2P33 | 0.73 | |
855 | 2-(6-methylpyridin-2-yl)-N-pyridin- 4-ylquinazolin-4-amine | A | 3HMM | 0.72 | |
MUH | N-{4-METHYL-3-[(3-PYRIMIDIN-4-YLPYRIDIN- 2-YL)AMINO]PHENYL}-3-(TRIFLUOROMETHYL)BENZAMIDE | A | 2OSC | 0.71 | |
CP6 | 5-(4-CHLORO-PHENYL)-6-ETHYL-PYRIMIDINE- 2,4-DIAMINE | A | 2BLA | 0.72 | |
CP6 | 5-(4-CHLORO-PHENYL)-6-ETHYL-PYRIMIDINE- 2,4-DIAMINE | A | 2BL9 | 0.72 | |
CP6 | 5-(4-CHLORO-PHENYL)-6-ETHYL-PYRIMIDINE- 2,4-DIAMINE | A,B,C,D | 1J3J | 0.72 | |
ABZ | 4-[4-AMINO-6-(5-CHLORO-1H-INDOL- 4-YLMETHYL)-[1,3,5]TRIAZIN-2-YLAMINO]- BENZONITRILE | A | 1S9G | 0.72 | |
CK4 | 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)- N-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN- 2-AMINE | A | 1PXL | 0.74 | |
CK4 | 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)- N-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN- 2-AMINE | A,C,F,H | 2C5V | 0.74 | |
YAM | N-methyl-N-{3-[({2-[(2-oxo-2,3- dihydro-1H-indol-5-yl)amino]-5- (trifluoromethyl)pyrimidin-4-yl}amino)methyl]pyridin- 2-yl}methanesulfonamide | A | 3BZ3 | 0.72 | |
C4C | N-(4-chlorobenzyl)-N',N'-dimethyl- N-pyridin-2-ylethane-1,2-diamine | A | 2RA7 | 0.73 | |
CY0 | S-{3-[(4-ANILINOQUINAZOLIN-6-YL)AMINO]- 3-OXOPROPYL}-L-CYSTEINE | A | 2J5E | 0.73 | |
L23 | 4-[1-(2,6-dichlorobenzyl)-2-methyl- 1H-imidazol-4-yl]pyrimidin-2-amine | A,C | 2W71 | 0.76 | |
5MS | N-{2-methyl-5-[(6-phenylpyrimidin- 4-yl)amino]phenyl}methanesulfonamide | A | 3EXO | 0.73 | |
CK8 | N-[4-(2,4-DIMETHYL-THIAZOL-5-YL)- PYRIMIDIN-2-YL]-N',N'-DIMETHYL- BENZENE-1,4-DIAMINE | A,C | 2C5N | 0.71 | |
CK8 | N-[4-(2,4-DIMETHYL-THIAZOL-5-YL)- PYRIMIDIN-2-YL]-N',N'-DIMETHYL- BENZENE-1,4-DIAMINE | A | 1PXP | 0.71 | |
796 | N-[(1S)-2-AMINO-1-(2,4-DICHLOROBENZYL)ETHYL]- 5-[2-(METHYLAMINO)PYRIMIDIN-4-YL]THIOPHENE- 2-CARBOXAMIDE | A | 2GU8 | 0.74 | |
T27 | 4-{[4-({4-[(E)-2-cyanoethenyl]- 2,6-dimethylphenyl}amino)pyrimidin- 2-yl]amino}benzonitrile | A,B | 2ZD1 | 0.78 | |
T27 | 4-{[4-({4-[(E)-2-cyanoethenyl]- 2,6-dimethylphenyl}amino)pyrimidin- 2-yl]amino}benzonitrile | A | 2ZE2 | 0.78 | |
T27 | 4-{[4-({4-[(E)-2-cyanoethenyl]- 2,6-dimethylphenyl}amino)pyrimidin- 2-yl]amino}benzonitrile | A,B | 3BGR | 0.78 | |
AA2 | 4-ARYL-2-PHENYLAMINO PYRIMIDINE | A | 1OEC | 0.73 | |
L17 | L17 | A,B | 1Z71 | 0.72 | |
P16 | 6-(2,6-DICHLOROPHENYL)-2-{[3-(HYDROXYMETHYL)PHENYL]AMINO}- 8-METHYLPYRIDO[2,3-D]PYRIMIDIN- 7(8H)-ONE | A | 2FO0 | 0.7 | |
P16 | 6-(2,6-DICHLOROPHENYL)-2-{[3-(HYDROXYMETHYL)PHENYL]AMINO}- 8-METHYLPYRIDO[2,3-D]PYRIMIDIN- 7(8H)-ONE | A | 1OPK | 0.7 | |
P16 | 6-(2,6-DICHLOROPHENYL)-2-{[3-(HYDROXYMETHYL)PHENYL]AMINO}- 8-METHYLPYRIDO[2,3-D]PYRIMIDIN- 7(8H)-ONE | A,B | 1OPL | 0.7 | |
P16 | 6-(2,6-DICHLOROPHENYL)-2-{[3-(HYDROXYMETHYL)PHENYL]AMINO}- 8-METHYLPYRIDO[2,3-D]PYRIMIDIN- 7(8H)-ONE | A,B | 2G2H | 0.7 | |
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 | |
DJK | N-[4-(3-BROMO-PHENYLAMINO)-QUINAZOLIN- 6-YL]-ACRYLAMIDE | A | 2J5F | 0.7 | |
DJK | N-[4-(3-BROMO-PHENYLAMINO)-QUINAZOLIN- 6-YL]-ACRYLAMIDE | A,B | 2HWP | 0.7 | |
CLZ | 5-CHLORYL-2,4,6-QUINAZOLINETRIAMINE | A,B | 1M78 | 0.73 | |
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 | 0.72 | |
3SC | 5-(2,3-dichlorophenyl)-N-(pyridin- 4-ylmethyl)-3-thiocyanatopyrazolo[1,5- a]pyrimidin-7-amine | A | 2R3P | 0.71 | |
P5C | 2-{[(1R,2S)-2-aminocyclohexyl]amino}- 4-[(3-methylphenyl)amino]pyrimidine- 5-carboxamide | A | 3FQE | 0.76 | |
CK1 | 4-(2,5-DICHLOROTHIEN-3-YL)PYRIMIDIN- 2-AMINE | A | 1PXI | 0.73 |