Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00713592
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 |
MBC | 2-(5-{4-[AMINO(IMINO)METHYL]PHENYL}- 2-FURYL)-1H-BENZIMIDAZOLE-5-CARBOXIMIDAMIDE | A | 2I2I | 0.71 | |
320 | 2-(4-fluorophenyl)-N-{[3-fluoro- 4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]carbamoyl}acetamide | A | 3CTJ | 0.76 | |
MOT | N-[4-[(2,4-DIAMINOFURO[2,3D]PYRIMIDIN- 5-YL)METHYL]METHYLAMINO]-BENZOYL]- L-GLUTAMATE | A | 1HFR | 0.8 | |
MOT | N-[4-[(2,4-DIAMINOFURO[2,3D]PYRIMIDIN- 5-YL)METHYL]METHYLAMINO]-BENZOYL]- L-GLUTAMATE | A | 1DAJ | 0.8 | |
MOT | N-[4-[(2,4-DIAMINOFURO[2,3D]PYRIMIDIN- 5-YL)METHYL]METHYLAMINO]-BENZOYL]- L-GLUTAMATE | A | 1HFQ | 0.8 | |
MOT | N-[4-[(2,4-DIAMINOFURO[2,3D]PYRIMIDIN- 5-YL)METHYL]METHYLAMINO]-BENZOYL]- L-GLUTAMATE | A | 1HFP | 0.8 | |
S03 | 1-{4-[4-AMINO-5-(3-METHOXYPHENYL)- 7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL]BENZYL}PIPERIDIN- 4-OL | A,B | 1YOL | 0.72 | |
547 | 2,3-DIPHENYL-N-(2-PIPERAZIN-1-YLETHYL)FURO[2,3- B]PYRIDIN-4-AMINE | A | 2OF2 | 0.82 | |
MFR | 4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin- 3-yl)pyrimidin-2-amine | A,B,C,D | 3BHT | 0.71 | |
BZ9 | N-[3-methyl-4-({3-[2-(methylamino)pyrimidin- 4-yl]pyridin-2-yl}oxy)naphthalen- 1-yl]-1H-benzimidazol-2-amine | A | 3DA6 | 0.7 | |
351 | 1-(3-{5-[4-(aminomethyl)phenyl]- 1H-pyrrolo[2,3-b]pyridin-3-yl}phenyl)- 3-(2-phenoxyphenyl)urea | A,B | 3ETA | 0.72 | |
GS2 | 2-[(2-{[1-(N,N-dimethylglycyl)- 5-methoxy-1H-indol-6-yl]amino}- 7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]- 6-fluoro-N-methylbenzamide | A | 3EKK | 0.72 | |
NMD | N-NAPHTHALEN-1-YLMETHYL-2'-[3,5- DIMETHOXYBENZAMIDO]-2'-DEOXY-ADENOSINE | A,B,C,D,E,F | 1I32 | 0.72 | |
LIF | N-{4-[4-AMINO-6-(4-METHOXYPHENYL)FURO[2,3- D]PYRIMIDIN-5-YL]PHENYL}-N'-[2- FLUORO-5-(TRIFLUOROMETHYL)PHENYL]UREA | A | 1YWN | 0.85 | |
TND | N-1,2,3,4-TETRAHYDRONAPHTH-1-YL- 2'-[3,5-DIMETHOXYBENZAMIDO]-2'- DEOXY-ADENOSINE | A,B,C,D,E,F | 1I33 | 0.71 | |
979 | 5,6-DIPHENYL-N-(2-PIPERAZIN-1-YLETHYL)FURO[2,3- D]PYRIMIDIN-4-AMINE | A | 2OF4 | 0.95 | |
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 | |
MMG | 4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin- 3-yl)benzoic acid | A | 3HDM | 0.73 | |
3B9 | N-[2-(2,4-diaminopyrido[2,3-d]pyrimidin- 7-yl)-2-methylpropyl]-4-phenoxybenzamide | A | 3BAC | 0.73 | |
3B9 | N-[2-(2,4-diaminopyrido[2,3-d]pyrimidin- 7-yl)-2-methylpropyl]-4-phenoxybenzamide | A | 3BA9 | 0.73 | |
R64 | (1-METHYL-1H-IMIDAZOL-2-YL)-(3- METHYL-4-{3-[(PYRIDIN-3-YLMETHYL)- AMINO]-PROPOXY}-BENZOFURAN-2-YL)- METHANONE | A,B,C | 1IYL | 0.72 | |
1FN | 1-(4-fluorophenyl)-N-[3-fluoro- 4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]- 2-oxo-1,2-dihydropyridine-3-carboxamide | A | 3CE3 | 0.74 | |
R78 | 4-{[(7R)-8-cyclopentyl-7-ethyl- 5-methyl-6-oxo-5,6,7,8-tetrahydropteridin- 2-yl]amino}-3-methoxy-N-(1-methylpiperidin- 4-yl)benzamide | A | 2RKU | 0.71 | |
P3Y | 5-[3-(2-METHOXYPHENYL)-1H-PYRROLO[2,3- B]PYRIDIN-5-YL]-N,N-DIMETHYLPYRIDINE- 3-CARBOXAMIDE | A | 2Z60 | 0.79 | |
P3Y | 5-[3-(2-METHOXYPHENYL)-1H-PYRROLO[2,3- B]PYRIDIN-5-YL]-N,N-DIMETHYLPYRIDINE- 3-CARBOXAMIDE | A,B | 2QOH | 0.79 | |
MXA | 6-(2,5-DIMETHOXY-BENZYL)-5-METHYL- PYRIDO[2,3-D]PYRIMIDINE-2,4-DIAMINE | A | 1U71 | 0.7 | |
MXA | 6-(2,5-DIMETHOXY-BENZYL)-5-METHYL- PYRIDO[2,3-D]PYRIMIDINE-2,4-DIAMINE | A | 1DLR | 0.7 | |
DFY | (5,6-DIPHENYL-FURO[2,3-D]PYRIMIDIN- 4-YLAMINO)-ACETIC | A | 2BRG | 0.91 | |
D2G | N-METHYL(5-(PYRIDIN-3-YL)FURAN- 2-YL)METHANAMINE | A,B,C,D | 2FDV | 0.71 | |
AK6 | 4-methoxy-N-phenyl-3-({3-[(1H-pyrrolo[2,3- b]pyridin-5-ylmethyl)sulfanyl]propanoyl}amino)benzamide | A | 3DJ6 | 0.7 | |
BI9 | 2-({5-CHLORO-2-[(2-METHOXY-4-MORPHOLIN- 4-YLPHENYL)AMINO]PYRIMIDIN-4-YL}AMINO)- N-METHYLBENZAMIDE | A | 2JKK | 0.73 | |
BZC | A | 1EFY | 0.7 | ||
382 | (R)-2-(2-(1H-1,2,4-TRIAZOL-1-YL)BENZYL)- N-(2,2-DIFLUORO-2-(PIPERIDIN-2- YL)ETHYL)OXAZOLO[4,5-C]PYRIDIN- 4-AMINE | A,B | 1ZGI | 0.72 | |
VX1 | 4-[3-(4-chlorophenyl)-2,1-benzisoxazol- 5-yl]pyrimidin-2-amine | A | 3BGP | 0.71 | |
PFP | 2-[5,6-BIS-(4-METHOXY-PHENYL)-FURO[2,3- D]PYRIMIDIN-4-YLAMINO]-ETHANOL | A | 2BR1 | 0.9 | |
E89 | 6-AMINO-4-[2-(4-METHOXYPHENYL)ETHYL]- 1,7-DIHYDRO-8H-IMIDAZO[4,5-G]QUINAZOLIN- 8-ONE | A,D | 1Y5X | 0.72 | |
7CS | (3-ENDO)-8-METHYL-8-AZABICYCLO[3.2.1]OCT- 3-YL 1H-PYRROLO[2,3-B]PYRIDINE- 3-CARBOXYLATE | A | 2QHM | 0.73 | |
PFQ | 2-[(5,6-DIPHENYLFURO[2,3-D]PYRIMIDIN- 4-YL)AMINO]ETHANOL | A | 2BRB | 0.94 | |
N41 | 4-(6-CYCLOHEXYLMETHOXY-9H-PURIN- 2-YLAMINO)--BENZAMIDE | A,B,C,D | 1OIY | 0.72 | |
DFW | N-(5,6-DIPHENYLFURO[2,3-D]PYRIMIDIN- 4-YL)GLYCINE | A | 2BRH | 0.92 | |
C4F | 3-(3-methoxybenzyl)-1H-pyrrolo[2,3- b]pyridine | A,B | 3C4F | 0.72 | |
859 | 2-({2-[(3-HYDROXYPHENYL)AMINO]PYRIMIDIN- 4-YL}AMINO)BENZAMIDE | A,B | 2NO3 | 0.72 | |
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 | |
447 | N-(4-{[6-methoxy-7-(3-morpholin- 4-ylpropoxy)quinazolin-4-yl]amino}phenyl)benzamide | A,B | 2VRX | 0.71 | |
PLB | 2-[(2,4-DICHLOROBENZOYL)AMINO]- 5-(PYRIMIDIN-2-YLOXY)BENZOIC ACID | A,D | 3DZU | 0.71 | |
PLB | 2-[(2,4-DICHLOROBENZOYL)AMINO]- 5-(PYRIMIDIN-2-YLOXY)BENZOIC ACID | B | 2Q6S | 0.71 | |
PLB | 2-[(2,4-DICHLOROBENZOYL)AMINO]- 5-(PYRIMIDIN-2-YLOXY)BENZOIC ACID | X | 1WM0 | 0.71 | |
D3G | (5-(PYRIDIN-3-YL)FURAN-2-YL)METHANAMINE | A,B,C,D | 2FDW | 0.72 | |
MHR | 4-(4-propoxy-1H-pyrrolo[2,3-b]pyridin- 3-yl)pyrimidin-2-amine | A,B,C,D | 3BHU | 0.72 | |
L3G | N-(4-{4-AMINO-1-[1-(TETRAHYDRO- 2H-PYRAN-4-YL)PIPERIDIN-4-YL]-1H- PYRAZOLO[3,4-D]PYRIMIDIN-3-YL}- 2-METHOXYPHENYL)-1-METHYL-1H-INDOLE- 2-CARBOXAMIDE | A,B | 2C0T | 0.7 | |
R86 | 2-{(2R)-4-[2-(1H-IMIDAZOL-1-YL)- 6-METHYLPYRIMIDIN-4-YL]-1-ISOBUTYRYLPIPERAZIN- 2-YL}-N-[2-(4-METHOXYPHENYL)ETHYL]ACETAMIDE | A | 2ORP | 0.71 | |
GS7 | 2-fluoro-6-{[2-({2-methoxy-4-[(methylsulfonyl)methyl]phenyl}amino)- 7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}benzamide | A | 3ELJ | 0.72 | |
608 | N-(4-phenoxyphenyl)-2-[(pyridin- 4-ylmethyl)amino]nicotinamide | A,B | 2P2I | 0.75 | |
4MR | 5-(4-PHENOXYPHENYL)-5-(4-PYRIMIDIN- 2-YLPIPERAZIN-1-YL)PYRIMIDINE-2,4,6(2H,3H)- TRIONE | A,B | 2OVX | 0.71 | |
319 | N-({4-[(2-aminopyridin-4-yl)oxy]- 3-fluorophenyl}carbamoyl)-2-(4- fluorophenyl)acetamide | A | 3CTH | 0.73 | |
LIA | (4-AMINO-2-{[1-(METHYLSULFONYL)PIPERIDIN- 4-YL]AMINO}PYRIMIDIN-5-YL)(2,3- DIFLUORO-6-METHOXYPHENYL)METHANONE | A | 2FVD | 0.73 | |
PQA | [5-AMINO-1-(4-FLUOROPHENYL)-1H- PYRAZOL-4-YL][3-(PIPERIDIN-4-YLOXY)PHENYL]METHANONE | A | 2BAL | 0.72 | |
VG8 | 4-(1,4'-bipiperidin-1'-yl)-7-({5- chloro-2-[(2-methoxyphenyl)amino]pyrimidin- 4-yl}amino)-2-methyl-2,3-dihydro- 1H-isoindol-1-one | A | 2JKQ | 0.74 |