Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00270157
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 |
LII | (Z)-6-(2-[2,5-DIMETHOXYPHENYL]ETHEN- 1-YL)-2,4-DIAMINO-5-METHYLPYRIDO[2,3- D]PYRIMIDINE | A | 1KMV | 0.7 | |
001 | 1-[2,2-DIFLUORO-2-(3,4,5-TRIMETHOXY- PHENYL)-ACETYL]-PIPERIDINE-2-CARBOXYLIC ACID 4- PHENYL-1-(3-PYRIDIN-3-YL-PROPYL)- BUTYL ESTER | A,B,D | 1J4R | 0.7 | |
MSD | 1-[2-(3-ACETYL-2-HYDROXY-6-METHOXY- PHENYL)-CYCLOPROPYL]-3-(5-CYANO- PYRIDIN-2-YL)-THIOUREA | A | 1IKY | 0.71 | |
CO4 | 2,4-DIAMINO-5-METHYL-6-[(3,4,5- TRIMETHOXY-N-METHYLANILINO)METHYL]PYRIDO[2,3- D]PYRIMIDINE | A | 1PD8 | 0.75 | |
CO4 | 2,4-DIAMINO-5-METHYL-6-[(3,4,5- TRIMETHOXY-N-METHYLANILINO)METHYL]PYRIDO[2,3- D]PYRIMIDINE | A | 1PD9 | 0.75 | |
DH3 | A | 2FZJ | 0.71 | ||
DH3 | A | 2FZI | 0.71 | ||
342 | (3S)-1-(1,3-BENZODIOXOL-5-YLMETHYL)- 3-[4-(1H-IMIDAZOL-1-YL)PHENOXY]PIPERIDINE | A | 2ORT | 0.71 | |
G6H | N-{4-methyl-3-[(3-{4-[(3,4,5-trimethoxyphenyl)amino]- 1,3,5-triazin-2-yl}pyridin-2-yl)amino]phenyl}- 3-(trifluoromethyl)benzamide | B | 3G6H | 0.76 | |
G6G | N-{3-[(3-{4-[(4-methoxyphenyl)amino]- 1,3,5-triazin-2-yl}pyridin-2-yl)amino]- 4-methylphenyl}-4-[(4-methylpiperazin- 1-yl)methyl]benzamide | A,B | 3G6G | 0.7 | |
447 | N-(4-{[6-methoxy-7-(3-morpholin- 4-ylpropoxy)quinazolin-4-yl]amino}phenyl)benzamide | A,B | 2VRX | 0.7 | |
1N9 | 2,6-DIMETHYLPHENYL 2-(3,5-DIMETHOXY- 4-(3-(4-METHYLPIPERAZIN-1-YL)PROPOXY)PHENYLAMINO)PYRIMIDIN- 4-YL(2,4-DIMETHOXYPHENYL)CARBAMATE | A | 2OFU | 0.7 | |
DTQ | 4-[3-HYDROXYANILINO]-6,7-DIMETHOXYQUINAZOLINE | A | 1DI8 | 0.71 | |
3IP | 3-(BENZYLOXY)PYRIDIN-2-AMINE | A | 1W7H | 0.7 | |
P3Y | 5-[3-(2-METHOXYPHENYL)-1H-PYRROLO[2,3- B]PYRIDIN-5-YL]-N,N-DIMETHYLPYRIDINE- 3-CARBOXAMIDE | A | 2Z60 | 0.71 | |
P3Y | 5-[3-(2-METHOXYPHENYL)-1H-PYRROLO[2,3- B]PYRIDIN-5-YL]-N,N-DIMETHYLPYRIDINE- 3-CARBOXAMIDE | A,B | 2QOH | 0.71 | |
PGJ | 2-(ETHOXYMETHYL)-4-(4-FLUOROPHENYL)- 3-[2-(2-HYDROXYPHENOXY)PYRIMIDIN- 4-YL]ISOXAZOL-5(2H)-ONE | A | 1YW2 | 0.71 | |
TRR | 2,4-DIAMINO-5-(3,4,5-TRIMETHOXY- BENZYL)-PYRIMIDIN-1-IUM | A | 1YHO | 0.75 | |
TRR | 2,4-DIAMINO-5-(3,4,5-TRIMETHOXY- BENZYL)-PYRIMIDIN-1-IUM | A | 1LUD | 0.75 | |
TRR | 2,4-DIAMINO-5-(3,4,5-TRIMETHOXY- BENZYL)-PYRIMIDIN-1-IUM | A | 2HM9 | 0.75 | |
AK6 | 4-methoxy-N-phenyl-3-({3-[(1H-pyrrolo[2,3- b]pyridin-5-ylmethyl)sulfanyl]propanoyl}amino)benzamide | A | 3DJ6 | 0.7 | |
T2A | 5-methyl-7-phenyl-N-(3,4,5-trimethoxyphenyl)imidazo[5,1- f][1,2,4]triazin-2-amine | A,C | 3EOC | 0.71 | |
COQ | 2,4-DIAMINO-6-[N-(3',5'-DIMETHOXYBENZYL)- N-METHYLAMINO]PYRIDO[2,3-D]PYRIMIDINE | A | 1LY4 | 0.74 | |
994 | 4-(2-anilinopyridin-3-yl)-N-(3,4,5- trimethoxyphenyl)-1,3,5-triazin- 2-amine | A | 2P2H | 0.77 | |
333 | 4-(1,3-BENZODIOXOL-5-YLOXY)-2-[4- (1H-IMIDAZOL-1-YL)PHENOXY]PYRIMIDINE | A | 2ORR | 0.7 | |
C4F | 3-(3-methoxybenzyl)-1H-pyrrolo[2,3- b]pyridine | A,B | 3C4F | 0.73 | |
RAR | 5-(3,4-dimethoxy-5-{(1E)-3-oxo- 3-[(1S)-1-propylphthalazin-2(1H)- yl]prop-1-en-1-yl}benzyl)pyrimidine- 2,4-diamine | A,B,C,D,E,F, G,H | 3FL8 | 0.7 | |
TOP | TRIMETHOPRIM | A | 1DG5 | 0.77 | |
TOP | TRIMETHOPRIM | A,B,C,D,E,F | 2W9S | 0.77 | |
TOP | TRIMETHOPRIM | A,B,C,D | 2BFM | 0.77 | |
TOP | TRIMETHOPRIM | A | 2W9G | 0.77 | |
TOP | TRIMETHOPRIM | A,B,C,D,E,F, G,H | 3FL9 | 0.77 | |
TOP | TRIMETHOPRIM | A | 1DYR | 0.77 | |
TOP | TRIMETHOPRIM | A | 2W9H | 0.77 | |
PD1 | 1-TERT-BUTYL-3-[6-(3,5-DIMETHOXY- PHENYL)-2-(4-DIETHYLAMINO-BUTYLAMINO)- PYRIDO[2,3-D]PYRIMIDIN-7-YL]-UREA | A,B | 2FGI | 0.74 | |
608 | N-(4-phenoxyphenyl)-2-[(pyridin- 4-ylmethyl)amino]nicotinamide | A,B | 2P2I | 0.7 | |
228 | N-[2-(1,3-BENZODIOXOL-5-YL)ETHYL]- 1-[2-(1H-IMIDAZOL-1-YL)-6-METHYLPYRIMIDIN- 4-YL]-D-PROLINAMIDE | A | 2ORO | 0.7 | |
AQZ | N-(3-{[7-METHOXY-6-(2-PYRROLIDIN- 1-YLETHOXY)QUINAZOLIN-4-YL]AMINO}- 4-METHYLPHENYL)-2-MORPHOLIN-4-YLISONICOTINAMIDE | A | 2BAK | 0.73 | |
LZK | 6-(2,6-DIMETHOXYPHENYL)PYRIDO[2,3- D]PYRIMIDINE-2,7-DIAMINE | A,B | 2V59 | 0.74 | |
1PM | methyl (3S)-3-{2-[(1,3-benzodioxol- 5-ylmethyl)amino]-2-oxoethyl}-4- [2-(1H-imidazol-1-yl)pyrimidin- 4-yl]piperazine-1-carboxylate | A | 1DD7 | 0.73 | |
PU3 | 9-BUTYL-8-(3,4,5-TRIMETHOXYBENZYL)- 9H-PURIN-6-AMINE | A | 1UYM | 0.74 | |
PU3 | 9-BUTYL-8-(3,4,5-TRIMETHOXYBENZYL)- 9H-PURIN-6-AMINE | A | 1UY6 | 0.74 | |
KIM | N~4~-methyl-N~4~-(3-methyl-1H-indazol- 6-yl)-N~2~-(3,4,5-trimethoxyphenyl)pyrimidine- 2,4-diamine | A | 3CJG | 0.71 | |
SAV | N~4~-(3-methyl-1H-indazol-6-yl)- N~2~-(3,4,5-trimethoxyphenyl)pyrimidine- 2,4-diamine | A | 3CJF | 0.72 | |
JK1 | 3-{4-[(phenylcarbamoyl)amino]-1H- pyrazol-1-yl}-N-(3,4,5-trimethoxyphenyl)benzamide | A | 3FI2 | 0.7 | |
688 | 2-[AMINO(IMINO)METHYL]-2-HYDROXYPHENOXY]- 6-[3-(4,5-DIHYDRO-1H-IMIDAZOL-2- YL)PHENOXY]PYRIDINE-4-CARBOXYLIC ACID | A | 1QBN | 0.77 | |
MXA | 6-(2,5-DIMETHOXY-BENZYL)-5-METHYL- PYRIDO[2,3-D]PYRIMIDINE-2,4-DIAMINE | A | 1U71 | 0.71 | |
MXA | 6-(2,5-DIMETHOXY-BENZYL)-5-METHYL- PYRIDO[2,3-D]PYRIMIDINE-2,4-DIAMINE | A | 1DLR | 0.71 | |
DTM | 2,4-DIAMINO-6-[N-(3',4',5'-TRIMETHOXYBENZYL)- N-METHYLAMINO]PYRIDO[2,3-D]PYRIMIDINE | A | 1MVS | 0.78 | |
DTM | 2,4-DIAMINO-6-[N-(3',4',5'-TRIMETHOXYBENZYL)- N-METHYLAMINO]PYRIDO[2,3-D]PYRIMIDINE | A | 1MVT | 0.78 | |
7PY | 7-PYRIDIN-2-YL-N-(3,4,5-TRIMETHOXYPHENYL)- 7H-PYRROLO[2,3-D]PYRIMIDIN-2-AMINE | A,B | 2ETM | 0.75 | |
MT3 | 2-benzyl-5-{4-[(6,7-dimethoxyquinolin- 4-yl)oxy]-3-fluorophenyl}-3-methylpyrimidin- 4(3H)-one | A,B | 3EFJ | 0.71 |