Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01750970
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 |
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 | 0.8 | |
ZMA | 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5- a][1,3,5]triazin-5-yl)amino]ethyl}phenol | A | 3EML | 0.73 | |
AK6 | 4-methoxy-N-phenyl-3-({3-[(1H-pyrrolo[2,3- b]pyridin-5-ylmethyl)sulfanyl]propanoyl}amino)benzamide | A | 3DJ6 | 0.71 | |
IMA | [4-({[5-BENZYLOXY-1-(3-CARBAMIMIDOYL- BENZYL)-1H-INDOLE-2-CARBONYL]-AMINO}- METHYL)-PHENYL]-TRIMETHYL-AMMONIUM | B | 1LPG | 0.7 | |
IMA | [4-({[5-BENZYLOXY-1-(3-CARBAMIMIDOYL- BENZYL)-1H-INDOLE-2-CARBONYL]-AMINO}- METHYL)-PHENYL]-TRIMETHYL-AMMONIUM | A | 1LQE | 0.7 | |
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 | 0.71 | |
447 | N-(4-{[6-methoxy-7-(3-morpholin- 4-ylpropoxy)quinazolin-4-yl]amino}phenyl)benzamide | A,B | 2VRX | 0.73 | |
090 | N-(2,3-DIHYDRO-7,8-DIMETHOXYIMIDAZO[1,2- C] QUINAZOLIN-5-YL)NICOTINAMIDE | A | 2CHX | 0.71 | |
35F | N-{3-[5-(1H-1,2,4-triazol-3-yl)- 1H-indazol-3-yl]phenyl}furan-2- carboxamide | A,B | 3E7O | 0.86 | |
3B9 | N-[2-(2,4-diaminopyrido[2,3-d]pyrimidin- 7-yl)-2-methylpropyl]-4-phenoxybenzamide | A | 3BAC | 0.77 | |
3B9 | N-[2-(2,4-diaminopyrido[2,3-d]pyrimidin- 7-yl)-2-methylpropyl]-4-phenoxybenzamide | A | 3BA9 | 0.77 | |
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 | 0.71 | |
KS4 | 1-cyclobutyl-3-(3,4-dimethoxyphenyl)- 1H-pyrazolo[3,4-d]pyrimidin-4-amine | A,B | 3EN5 | 0.72 | |
L1G | N-(4-{4-AMINO-1-[4-(4-METHYLPIPERAZIN- 1-YL)-TRANS-CYCLOHEXYL]-1H-PYRAZOLO[3,4- D]PYRIMIDIN-3-YL}-2-METHOXYPHENYL)- 1-METHYL-1H-INDOLE-2-CARBOXAMIDE | A,B | 2C0I | 0.8 | |
5FR | 4-({1-[3-(3-amino-3-oxopropyl)- 5-chlorophenyl]-3-methyl-1H-pyrazolo[4,3- c]pyridin-6-yl}amino)-3-methoxy- N-(1-methylpiperidin-4-yl)benzamide | A | 3DBF | 0.72 | |
4FR | 3'-chloro-5'-[6-({2-methoxy-4-[(1- methylpiperidin-4-yl)carbamoyl]phenyl}amino)- 3-methyl-1H-pyrazolo[4,3-c]pyridin- 1-yl]biphenyl-2-carboxamide | A | 3DBE | 0.71 | |
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 | 0.73 | |
UA4 | (2S)-6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN- 5-YL)-2-(3,5-DIFLUOROPHENYL)-4- (3-METHOXYPROPYL)-2-METHYL-2H-1,4- BENZOXAZIN-3(4H)-ONE | A,B | 2I4Q | 0.72 | |
R64 | (1-METHYL-1H-IMIDAZOL-2-YL)-(3- METHYL-4-{3-[(PYRIDIN-3-YLMETHYL)- AMINO]-PROPOXY}-BENZOFURAN-2-YL)- METHANONE | A,B,C | 1IYL | 0.7 | |
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 | |
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 | 0.73 | |
L2G | N-(4-{1-[4-(4-ACETYLPIPERAZIN-1- YL)-TRANS-CYCLOHEXYL]-4-AMINO-1H- PYRAZOLO[3,4-D]PYRIMIDIN-3-YL}- 2-METHOXYPHENYL)-1-METHYL-1H-INDOLE- 2-CARBOXAMIDE | A,B | 2C0O | 0.79 | |
L5G | 7-methoxy-4-[(6-phenyl[1,2,4]triazolo[4,3- b]pyridazin-3-yl)methoxy]quinoline | A | 3CD8 | 0.73 | |
MOT | N-[4-[(2,4-DIAMINOFURO[2,3D]PYRIMIDIN- 5-YL)METHYL]METHYLAMINO]-BENZOYL]- L-GLUTAMATE | A | 1HFR | 0.75 | |
MOT | N-[4-[(2,4-DIAMINOFURO[2,3D]PYRIMIDIN- 5-YL)METHYL]METHYLAMINO]-BENZOYL]- L-GLUTAMATE | A | 1DAJ | 0.75 | |
MOT | N-[4-[(2,4-DIAMINOFURO[2,3D]PYRIMIDIN- 5-YL)METHYL]METHYLAMINO]-BENZOYL]- L-GLUTAMATE | A | 1HFQ | 0.75 | |
MOT | N-[4-[(2,4-DIAMINOFURO[2,3D]PYRIMIDIN- 5-YL)METHYL]METHYLAMINO]-BENZOYL]- L-GLUTAMATE | A | 1HFP | 0.75 | |
20A | 1-ethyl-N-(phenylmethyl)-4-(tetrahydro- 2H-pyran-4-ylamino)-1H-pyrazolo[3,4- b]pyridine-5-carboxamide | A | 3D3P | 0.71 | |
H35 | N-(FURAN-2-YLMETHYL)-7H-PURIN-6- AMINE | A | 2UY5 | 0.72 | |
AQZ | N-(3-{[7-METHOXY-6-(2-PYRROLIDIN- 1-YLETHOXY)QUINAZOLIN-4-YL]AMINO}- 4-METHYLPHENYL)-2-MORPHOLIN-4-YLISONICOTINAMIDE | A | 2BAK | 0.73 | |
PQA | [5-AMINO-1-(4-FLUOROPHENYL)-1H- PYRAZOL-4-YL][3-(PIPERIDIN-4-YLOXY)PHENYL]METHANONE | A | 2BAL | 0.7 | |
FMM | N-{3-CHLORO-4-[(3-FLUOROBENZYL)OXY]PHENYL}- 6-[5-({[2-(METHYLSULFONYL)ETHYL]AMINO}METHYL)- 2-FURYL]-4-QUINAZOLINAMINE | B,D | 3BBT | 0.71 | |
FMM | N-{3-CHLORO-4-[(3-FLUOROBENZYL)OXY]PHENYL}- 6-[5-({[2-(METHYLSULFONYL)ETHYL]AMINO}METHYL)- 2-FURYL]-4-QUINAZOLINAMINE | A | 1XKK | 0.71 | |
4IG | (2S)-6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN- 5-YL)-2-(3,5-DIFLUOROPHENYL)-4- (3-METHOXYPROPYL)-2H-1,4-BENZOXAZIN- 3(4H)-ONE | A,B | 2G1S | 0.72 | |
3IG | N-{2-[6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN- 5-YL)-2,2-DIMETHYL-3-OXO-2,3-DIHYDRO- 4H-1,4-BENZOXAZIN-4-YL]ETHYL}ACETAMIDE | A,B | 2G1R | 0.72 | |
B96 | 1-(5-TERT-BUTYL-2-P-TOLYL-2H-PYRAZOL- 3-YL)-3-[4-(2-MORPHOLIN-4-YL-ETHOXY)- NAPHTHALEN-1-YL]-UREA | A | 3FZS | 0.72 | |
B96 | 1-(5-TERT-BUTYL-2-P-TOLYL-2H-PYRAZOL- 3-YL)-3-[4-(2-MORPHOLIN-4-YL-ETHOXY)- NAPHTHALEN-1-YL]-UREA | A | 1KV2 | 0.72 | |
5IG | 6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN- 5-YL)-4-(3-METHOXYPROPYL)-2,2-DIMETHYL- 2H-1,4-BENZOXAZIN-3(4H)-ONE | A,B | 2G1Y | 0.73 | |
FLX | N-[(FURAN-2-YL)CARBONYL]-(S)-LEUCYL- (R)-[1-AMINO-2(1H-INDOL-3-YL)ETHYL]- PHOSPHONIC ACID | A | 4AIG | 0.72 | |
MBC | 2-(5-{4-[AMINO(IMINO)METHYL]PHENYL}- 2-FURYL)-1H-BENZIMIDAZOLE-5-CARBOXIMIDAMIDE | A | 2I2I | 0.74 |