Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01858578
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 |
PFH![]() | 6,7-DIMETHOXY-4-[(3R)-3-(2-NAPHTHYLOXY)PYRROLIDIN- 1-YL]QUINAZOLINE | A | 2OVV | 0.72 | ![]() |
PU8![]() | 9-BUTYL-8-(2-CHLORO-3,4,5-TRIMETHOXY- BENZYL)-9H-PURIN-6-YLAMINE | A | 1UYD | 0.71 | ![]() |
994![]() | 4-(2-anilinopyridin-3-yl)-N-(3,4,5- trimethoxyphenyl)-1,3,5-triazin- 2-amine | A | 2P2H | 0.79 | ![]() |
PRD![]() | N6-(2,5-DIMETHOXY-BENZYL)-N6-METHYL- PYRIDO[2,3-D]PYRIMIDINE-2,4,6-TRIAMINE | A | 1BOZ | 0.73 | ![]() |
7PY![]() | 7-PYRIDIN-2-YL-N-(3,4,5-TRIMETHOXYPHENYL)- 7H-PYRROLO[2,3-D]PYRIMIDIN-2-AMINE | A,B | 2ETM | 0.79 | ![]() |
7X2![]() | A | 2VWW | 0.72 | ![]() | |
ABO![]() | 4-[3-(1H-BENZIMIDAZOL-2-YL)-1H- INDAZOL-6-YL]-2-METHOXYPHENOL | A | 2C3K | 0.72 | ![]() |
228![]() | N-[2-(1,3-BENZODIOXOL-5-YL)ETHYL]- 1-[2-(1H-IMIDAZOL-1-YL)-6-METHYLPYRIMIDIN- 4-YL]-D-PROLINAMIDE | A | 2ORO | 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 | 0.71 | ![]() |
AB3![]() | 3-(4-AMINO-1-TERT-BUTYL-1H-PYRAZOLO[3,4- D]PYRIMIDIN-3-YL)PHENOL | A | 3BHJ | 0.7 | ![]() |
AB3![]() | 3-(4-AMINO-1-TERT-BUTYL-1H-PYRAZOLO[3,4- D]PYRIMIDIN-3-YL)PHENOL | A | 3BHM | 0.7 | ![]() |
AB3![]() | 3-(4-AMINO-1-TERT-BUTYL-1H-PYRAZOLO[3,4- D]PYRIMIDIN-3-YL)PHENOL | A | 1WMA | 0.7 | ![]() |
PU3![]() | 9-BUTYL-8-(3,4,5-TRIMETHOXYBENZYL)- 9H-PURIN-6-AMINE | A | 1UYM | 0.76 | ![]() |
PU3![]() | 9-BUTYL-8-(3,4,5-TRIMETHOXYBENZYL)- 9H-PURIN-6-AMINE | A | 1UY6 | 0.76 | ![]() |
55V![]() | 6-methyl-5-[3-methyl-3-(3,4,5-trimethoxyphenyl)but- 1-yn-1-yl]pyrimidine-2,4-diamine | A,B | 3FQC | 0.71 | ![]() |
55V![]() | 6-methyl-5-[3-methyl-3-(3,4,5-trimethoxyphenyl)but- 1-yn-1-yl]pyrimidine-2,4-diamine | A | 3FQF | 0.71 | ![]() |
CO4![]() | 2,4-DIAMINO-5-METHYL-6-[(3,4,5- TRIMETHOXY-N-METHYLANILINO)METHYL]PYRIDO[2,3- D]PYRIMIDINE | A | 1PD8 | 0.78 | ![]() |
CO4![]() | 2,4-DIAMINO-5-METHYL-6-[(3,4,5- TRIMETHOXY-N-METHYLANILINO)METHYL]PYRIDO[2,3- D]PYRIMIDINE | A | 1PD9 | 0.78 | ![]() |
Q4A![]() | N-(1-benzylpiperidin-4-yl)-6,7- dimethoxy-2-(4-methyl-1,4-diazepan- 1-yl)quinazolin-4-amine | A,B | 3FPD | 0.71 | ![]() |
COG![]() | 2,4-DIAMINO-6-[N-(2',5'-DIMETHOXYBENZYL)- N-METHYLAMINO]QUINAZOLINE | A | 1LY3 | 0.71 | ![]() |
S03![]() | 1-{4-[4-AMINO-5-(3-METHOXYPHENYL)- 7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL]BENZYL}PIPERIDIN- 4-OL | A,B | 1YOL | 0.73 | ![]() |
DTM![]() | 2,4-DIAMINO-6-[N-(3',4',5'-TRIMETHOXYBENZYL)- N-METHYLAMINO]PYRIDO[2,3-D]PYRIMIDINE | A | 1MVS | 0.81 | ![]() |
DTM![]() | 2,4-DIAMINO-6-[N-(3',4',5'-TRIMETHOXYBENZYL)- N-METHYLAMINO]PYRIDO[2,3-D]PYRIMIDINE | A | 1MVT | 0.81 | ![]() |
TMQ![]() | TRIMETREXATE | A,B,C,D | 3CLB | 0.73 | ![]() |
TMQ![]() | TRIMETREXATE | A | 1BZF | 0.73 | ![]() |
TMQ![]() | TRIMETREXATE | A,B,C,D | 3HBB | 0.73 | ![]() |
SAV![]() | N~4~-(3-methyl-1H-indazol-6-yl)- N~2~-(3,4,5-trimethoxyphenyl)pyrimidine- 2,4-diamine | A | 3CJF | 0.81 | ![]() |
ABJ![]() | 3-[4-AMINO-1-(1-METHYLETHYL)-1H- PYRAZOLO[3,4-D]PYRIMIDIN-3-YL]PHENOL | A | 3EN7 | 0.71 | ![]() |
ABJ![]() | 3-[4-AMINO-1-(1-METHYLETHYL)-1H- PYRAZOLO[3,4-D]PYRIMIDIN-3-YL]PHENOL | A | 2V4L | 0.71 | ![]() |
AQ4![]() | [6,7-BIS(2-METHOXY-ETHOXY)QUINAZOLINE- 4-YL]-(3-ETHYNYLPHENYL)AMINE | A | 1M17 | 0.72 | ![]() |
LII![]() | (Z)-6-(2-[2,5-DIMETHOXYPHENYL]ETHEN- 1-YL)-2,4-DIAMINO-5-METHYLPYRIDO[2,3- D]PYRIMIDINE | A | 1KMV | 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 | ![]() |
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 | 0.73 | ![]() |
JK1![]() | 3-{4-[(phenylcarbamoyl)amino]-1H- pyrazol-1-yl}-N-(3,4,5-trimethoxyphenyl)benzamide | A | 3FI2 | 0.73 | ![]() |
253![]() | 10,11-dimethoxy-4-methyldibenzo[c,f]- 2,7-naphthyridine-3,6-diamine | A | 2R7B | 0.71 | ![]() |
T2A![]() | 5-methyl-7-phenyl-N-(3,4,5-trimethoxyphenyl)imidazo[5,1- f][1,2,4]triazin-2-amine | A,C | 3EOC | 0.79 | ![]() |
L5G![]() | 7-methoxy-4-[(6-phenyl[1,2,4]triazolo[4,3- b]pyridazin-3-yl)methoxy]quinoline | A | 3CD8 | 0.74 | ![]() |
MSQ![]() | 4-[3-METHYLSULFANYLANILINO]-6,7- DIMETHOXYQUINAZOLINE | A | 1DI9 | 0.71 | ![]() |
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 | ![]() |
PUX![]() | 8-BENZO[1,3]DIOXOL-,5-YLMETHYL- 9-BUTYL-2-FLUORO-9H-PURIN-6-YLAMINE | A | 1UYK | 0.71 | ![]() |
PU6![]() | 8-BENZO[1,3]DIOXOL-,5-YLMETHYL- 9-BUTYL-9H- | A | 1UY9 | 0.72 | ![]() |
R8D![]() | 3-chloro-5-[2-chloro-5-(1H-pyrazolo[3,4- b]pyridin-3-ylmethoxy)phenoxy]benzonitrile | A | 3DRS | 0.73 | ![]() |
LZK![]() | 6-(2,6-DIMETHOXYPHENYL)PYRIDO[2,3- D]PYRIMIDINE-2,7-DIAMINE | A,B | 2V59 | 0.74 | ![]() |
DTQ![]() | 4-[3-HYDROXYANILINO]-6,7-DIMETHOXYQUINAZOLINE | A | 1DI8 | 0.73 | ![]() |
5AP![]() | 5-(AMINOMETHYL)-6-(2,4-DICHLOROPHENYL)- 2-(3,5-DIMETHOXYPHENYL)PYRIMIDIN- 4-AMINE | A,B | 1RWQ | 0.72 | ![]() |
391![]() | 4-(1,3-BENZODIOXOL-5-YLOXY)-2-[4- (1H-IMIDAZOL-1-YL)PHENOXY]-6-METHYLPYRIMIDINE | A | 2ORS | 0.74 | ![]() |
PO5![]() | (2S)-1-(dimethylamino)-3-(4-{[4- (6-morpholin-4-ylpyrazolo[1,5-b]pyridazin- 3-yl)pyrimidin-2-yl]amino}phenoxy)propan- 2-ol | A | 3EID | 0.73 | ![]() |
AK8![]() | 1-[3-methyl-4-({3-[2-(methylamino)pyrimidin- 4-yl]pyridin-2-yl}oxy)phenyl]-3- [3-(trifluoromethyl)phenyl]urea | A,B | 3EFW | 0.7 | ![]() |
PZF![]() | (3R,4S)-1-[6-(6-METHOXYPYRIDIN- 3-YL)PYRIMIDIN-4-YL]-4-(2,4,5-TRIFLUOROPHENYL)PYRROLIDIN- 3-AMINE | A,B | 2QJR | 0.7 | ![]() |
COQ![]() | 2,4-DIAMINO-6-[N-(3',5'-DIMETHOXYBENZYL)- N-METHYLAMINO]PYRIDO[2,3-D]PYRIMIDINE | A | 1LY4 | 0.77 | ![]() |
KS4![]() | 1-cyclobutyl-3-(3,4-dimethoxyphenyl)- 1H-pyrazolo[3,4-d]pyrimidin-4-amine | A,B | 3EN5 | 0.8 | ![]() |
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 | 0.71 | ![]() |
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 | 0.72 | ![]() |
KIM![]() | N~4~-methyl-N~4~-(3-methyl-1H-indazol- 6-yl)-N~2~-(3,4,5-trimethoxyphenyl)pyrimidine- 2,4-diamine | A | 3CJG | 0.81 | ![]() |
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 | 0.74 | ![]() |
3FP![]() | (2R)-1-(DIMETHYLAMINO)-3-{4-[(6- {[2-FLUORO-5-(TRIFLUOROMETHYL)PHENYL]AMINO}PYRIMIDIN- 4-YL)AMINO]PHENOXY}PROPAN-2-OL | A | 1V1K | 0.7 | ![]() |
342![]() | (3S)-1-(1,3-BENZODIOXOL-5-YLMETHYL)- 3-[4-(1H-IMIDAZOL-1-YL)PHENOXY]PIPERIDINE | A | 2ORT | 0.73 | ![]() |
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 | ![]() |
333![]() | 4-(1,3-BENZODIOXOL-5-YLOXY)-2-[4- (1H-IMIDAZOL-1-YL)PHENOXY]PYRIMIDINE | A | 2ORR | 0.74 | ![]() |
PFJ![]() | 6,7-DIMETHOXY-4-[(3R)-3-(QUINOXALIN- 2-YLOXY)PYRROLIDIN-1-YL]QUINAZOLINE | A | 2OVY | 0.73 | ![]() |
AM0![]() | N-phenyl-1-{4-[(3,4,5-trimethoxyphenyl)amino]- 1,3,5-triazin-2-yl}-1H-benzimidazol- 2-amine | A | 3BYM | 0.7 | ![]() |