Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02711213
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 |
218 | 1-[(4-AMINO-2-METHYLPYRIMIDIN-5- YL)METHYL]-3-(2-HYDROXYETHYL)-2- METHYLPYRIDINIUM | A | 2HOP | 0.72 | |
POX | 4-amino-6-{[1-(3-fluorobenzyl)- 1H-indazol-5-yl]amino}pyrimidine- 5-carbaldehyde O-(2-methoxyethyl)oxime | A | 3BEL | 0.72 | |
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 | 0.76 | |
TYA | A | 3TS1 | 0.7 | ||
K51 | 4-(6-{[(1S)-1-(HYDROXYMETHYL)-2- METHYLPROPYL]AMINO}IMIDAZO[1,2- B]PYRIDAZIN-3-YL)BENZONITRILE | X | 2PMN | 0.72 | |
2SC | (5-phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5- a]pyrimidin-3-yl)methanol | A | 2R3O | 0.75 | |
215 | (1Z)-5-(2-{4-[2-(DIMETHYLAMINO)ETHOXY]PHENYL}- 5-PYRIDIN-4-YL-1H-IMIDAZOL-4-YL)INDAN- 1-ONE OXIME | A,B | 2FB8 | 0.71 | |
PU5 | 9-BUTYL-8-(3-METHOXYBENZYL)-9H- PURIN-6-AMINE | A | 1UY8 | 0.71 | |
4JZ | 1-[5-tert-butyl-2-(4-methylphenyl)- 1,2-dihydro-3H-pyrazol-3-ylidene]- 3-{3-[(pyridin-3-yloxy)methyl]- 1H-pyrazol-5-yl}urea | A | 3FZT | 0.7 | |
IDD | (5R,6R,7S,8S)-5-(HYDROXYMETHYL)- 2-PHENYL-5,6,7,8-TETRAHYDROIMIDAZO[1,2- A]PYRIDINE-6,7,8-TRIOL | A | 1X38 | 0.7 | |
IDD | (5R,6R,7S,8S)-5-(HYDROXYMETHYL)- 2-PHENYL-5,6,7,8-TETRAHYDROIMIDAZO[1,2- A]PYRIDINE-6,7,8-TRIOL | A | 1LQ2 | 0.7 | |
DF2 | (2R)-3-{[(4Z)-5,6-DIPHENYL-6,7- DIHYDRO-4H-PYRROLO[2,3-D]PYRIMIDIN- 4-YLIDENE]AMINO}PROPANE-1,2-DIOL | A | 2BRO | 0.71 | |
AB3 | 3-(4-AMINO-1-TERT-BUTYL-1H-PYRAZOLO[3,4- D]PYRIMIDIN-3-YL)PHENOL | A | 3BHJ | 0.84 | |
AB3 | 3-(4-AMINO-1-TERT-BUTYL-1H-PYRAZOLO[3,4- D]PYRIMIDIN-3-YL)PHENOL | A | 3BHM | 0.84 | |
AB3 | 3-(4-AMINO-1-TERT-BUTYL-1H-PYRAZOLO[3,4- D]PYRIMIDIN-3-YL)PHENOL | A | 1WMA | 0.84 | |
1HP | 4-(2-amino-1-methyl-1H-imidazo[4,5- b]pyridin-6-yl)phenol | A,B | 2QSE | 0.8 | |
VGG | 1-tert-butyl-3-(3-methylbenzyl)- 1H-pyrazolo[3,4-d]pyrimidin-4-amine | A | 2WEI | 0.74 | |
DFZ | 3-AMINO-3-BENZYL-[4.3.0]BICYCLO- 1,6-DIAZANONAN-2-ONE | A | 2BRM | 0.71 | |
RB1 | 3-[(4-AMINO-1-TERT-BUTYL-1H-PYRAZOLO[3,4- D]PYRIMIDIN-3-YL)METHYL]PHENOL | A | 2PIQ | 0.86 | |
7NH | [2'-HYDROXY-3'-(1H-PYRROLO[3,2- C]PYRIDIN-2-YL)-BIPHENYL-3-YLMETHYL]- UREA | H | 2FLR | 0.73 | |
MXA | 6-(2,5-DIMETHOXY-BENZYL)-5-METHYL- PYRIDO[2,3-D]PYRIMIDINE-2,4-DIAMINE | A | 1U71 | 0.72 | |
MXA | 6-(2,5-DIMETHOXY-BENZYL)-5-METHYL- PYRIDO[2,3-D]PYRIMIDINE-2,4-DIAMINE | A | 1DLR | 0.72 | |
VAR | 9-amino-5-(2-aminopyrimidin-4-yl)pyrido[3',2':4,5]pyrrolo[1,2- c]pyrimidin-4-ol | A,B,C,D | 3BHV | 0.78 | |
HET | 3-[2-(2-CYCLOPENTYL-6-{[4-(DIMETHYLPHOSPHORYL)PHENYL]AMINO}- 9H-PURIN-9-YL)ETHYL]PHENOL | A | 2BDJ | 0.75 | |
PU4 | 9-BUTYL-8-(4-METHOXYBENZYL)-9H- PURIN-6-AMINE | A | 1UY7 | 0.71 | |
121 | 2-(3-HYDROXY-PYRIDIN-2-YL)-1H-BENZOIMIDAZOLE- 5-CARBOXAMIDINE | H,I,L | 1GHY | 0.72 | |
NNN | (2R)-2-{[4-(benzylamino)-8-(1-methylethyl)pyrazolo[1,5- a][1,3,5]triazin-2-yl]amino}butan- 1-ol | A,B,C,D | 3DOG | 0.7 | |
KS1 | 1-cyclopentyl-3-(1H-pyrrolo[2,3- b]pyridin-5-yl)-1H-pyrazolo[3,4- d]pyrimidin-4-amine | A,B | 3EN4 | 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 | |
PP1 | 1-TER-BUTYL-3-P-TOLYL-1H-PYRAZOLO[3,4- D]PYRIMIDIN-4-YLAMINE | A | 2IVV | 0.73 | |
PP1 | 1-TER-BUTYL-3-P-TOLYL-1H-PYRAZOLO[3,4- D]PYRIMIDIN-4-YLAMINE | A | 1QCF | 0.73 | |
1BM | 3-{[2-(1H-BENZIMIDAZOL-1-YL)-6- {[2-(DIETHYLAMINO)ETHYL]AMINO}PYRIMIDIN- 4-YL]AMINO}-4-METHYLPHENOL | A | 2HK5 | 0.75 | |
NPZ | 1-methyl-3-naphthalen-2-yl-1H-pyrazolo[3,4- d]pyrimidin-4-amine | A | 3ENE | 0.71 | |
RC8 | (2R)-2-({9-(1-methylethyl)-6-[(4- pyridin-2-ylbenzyl)amino]-9H-purin- 2-yl}amino)butan-1-ol | A,C | 3DDP | 0.73 | |
L5G | 7-methoxy-4-[(6-phenyl[1,2,4]triazolo[4,3- b]pyridazin-3-yl)methoxy]quinoline | A | 3CD8 | 0.75 | |
ALH | 6-PHENYL[5H]PYRROLO[2,3-B]PYRAZINE | A,B | 1UNG | 0.81 | |
PZF | (3R,4S)-1-[6-(6-METHOXYPYRIDIN- 3-YL)PYRIMIDIN-4-YL]-4-(2,4,5-TRIFLUOROPHENYL)PYRROLIDIN- 3-AMINE | A,B | 2QJR | 0.73 | |
C4F | 3-(3-methoxybenzyl)-1H-pyrrolo[2,3- b]pyridine | A,B | 3C4F | 0.73 | |
ABJ | 3-[4-AMINO-1-(1-METHYLETHYL)-1H- PYRAZOLO[3,4-D]PYRIMIDIN-3-YL]PHENOL | A | 3EN7 | 0.85 | |
ABJ | 3-[4-AMINO-1-(1-METHYLETHYL)-1H- PYRAZOLO[3,4-D]PYRIMIDIN-3-YL]PHENOL | A | 2V4L | 0.85 | |
43P | 4-(1H-IMIDAZOL-4-YL)-3-(5-ETHYL- 2,4-DIHYDROXY-PHENYL)-1H-PYRAZOLE | A | 1YC4 | 0.75 | |
DF1 | (2R)-1-[(5,6-DIPHENYL-7H-PYRROLO[2,3- D]PYRIMIDIN-4-YL)AMINO]PROPAN-2- OL | A | 2BRN | 0.72 | |
S03 | 1-{4-[4-AMINO-5-(3-METHOXYPHENYL)- 7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL]BENZYL}PIPERIDIN- 4-OL | A,B | 1YOL | 0.76 | |
MHR | 4-(4-propoxy-1H-pyrrolo[2,3-b]pyridin- 3-yl)pyrimidin-2-amine | A,B,C,D | 3BHU | 0.73 | |
PU7 | 9-BUTYL-8-(2,5-DIMETHOXY-BENZYL)- 9H-PURIN-6-YLAMINE | A | 1UYC | 0.71 | |
KS5 | 1-(1-methylethyl)-3-quinolin-6- yl-1H-pyrazolo[3,4-d]pyrimidin- 4-amine | B | 3EN6 | 0.75 | |
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 | |
K10 | 1-TERT-BUTYL-3-(2,5-DIMETHYLBENZYL)- 1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINE | L | 2PIP | 0.74 | |
KS4 | 1-cyclobutyl-3-(3,4-dimethoxyphenyl)- 1H-pyrazolo[3,4-d]pyrimidin-4-amine | A,B | 3EN5 | 0.8 | |
SAV | N~4~-(3-methyl-1H-indazol-6-yl)- N~2~-(3,4,5-trimethoxyphenyl)pyrimidine- 2,4-diamine | A | 3CJF | 0.72 | |
4RB | 4-(6-{[(1R)-1-(hydroxymethyl)propyl]amino}imidazo[1,2- b]pyridazin-3-yl)benzoic acid | A | 3BQR | 0.74 | |
T74 | N~3~-(2,6-dimethylphenyl)-1-(3- methoxy-3-methylbutyl)-N~6~-(4- piperazin-1-ylphenyl)-1H-pyrazolo[3,4- d]pyrimidine-3,6-diamine | A,B | 3EQR | 0.72 | |
IZZ | (2S)-2-{[3-(3-aminophenyl)imidazo[1,2- b]pyridazin-6-yl]amino}-3-methylbutan- 1-ol | A | 3F2N | 0.74 | |
IHX | 3-[3-(4-methylpiperazin-1-yl)-7- (trifluoromethyl)quinoxalin-5-yl]phenol | A,B | 3F66 | 0.71 | |
MFR | 4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin- 3-yl)pyrimidin-2-amine | A,B,C,D | 3BHT | 0.74 | |
CK9 | 2-{[(2-{[(1R)-1-(HYDROXYMETHYL)PROPYL]AMINO}- 9-ISOPROPYL-9H-PURIN-6-YL)AMINO]METHYL}PHENOL | X | 2A0C | 0.77 | |
PD5 | 1-{4-[4-amino-1-(1-methylethyl)- 1H-pyrazolo[3,4-d]pyrimidin-3-yl]phenyl}- 3-[3-(trifluoromethyl)phenyl]urea | A | 3EL8 | 0.71 |