Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01865887
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 |
741 | 4-[[3-chloro-4-(1-methylimidazol- 2-yl)sulfanyl-phenyl]amino]-7-[3- (2-hydroxyethyl-methyl-amino)propoxy]- 6-methoxy-quinoline-3-carbonitrile | A,B,C,D,E,F, G,H,I,J,K,L, M,R,S,T | 3F5P | 0.73 | |
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 | |
TUI | 2-(4-(2-((3-(5-(PYRIDIN-2-YLTHIO)THIAZOL- 2-YL)UREIDO)METHYL)-1H-IMIDAZOL- 4-YL)PHENOXY)ACETIC ACID | A,B | 2Z6J | 0.7 | |
7X1 | N-(5-chloro-1,3-benzodioxol-4-yl)- 6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin- 4-amine | A | 2VWU | 0.71 | |
HPM | N-{5-[(7-{[(2S)-2-HYDROXY-3-PIPERIDIN- 1-YLPROPYL]OXY}-6-METHOXYQUINAZOLIN- 4-YL)AMINO]PYRIMIDIN-2-YL}BENZAMIDE | A,B | 2C6E | 0.72 | |
447 | N-(4-{[6-methoxy-7-(3-morpholin- 4-ylpropoxy)quinazolin-4-yl]amino}phenyl)benzamide | A,B | 2VRX | 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 | 0.71 | |
CO4 | 2,4-DIAMINO-5-METHYL-6-[(3,4,5- TRIMETHOXY-N-METHYLANILINO)METHYL]PYRIDO[2,3- D]PYRIMIDINE | A | 1PD8 | 0.74 | |
CO4 | 2,4-DIAMINO-5-METHYL-6-[(3,4,5- TRIMETHOXY-N-METHYLANILINO)METHYL]PYRIDO[2,3- D]PYRIMIDINE | A | 1PD9 | 0.74 | |
MSQ | 4-[3-METHYLSULFANYLANILINO]-6,7- DIMETHOXYQUINAZOLINE | A | 1DI9 | 0.78 | |
253 | 10,11-dimethoxy-4-methyldibenzo[c,f]- 2,7-naphthyridine-3,6-diamine | A | 2R7B | 0.72 | |
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 | |
AK5 | 3-({3-[(6-amino-5-bromopyrimidin- 4-yl)sulfanyl]propanoyl}amino)- 4-methoxy-N-phenylbenzamide | A | 3DJ5 | 0.72 | |
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 | |
PRD | N6-(2,5-DIMETHOXY-BENZYL)-N6-METHYL- PYRIDO[2,3-D]PYRIMIDINE-2,4,6-TRIAMINE | A | 1BOZ | 0.7 | |
DD1 | 5-{[1-(2-fluorobenzyl)piperidin- 4-yl]methoxy}quinazoline-2,4-diamine | A | 3BL7 | 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 | 0.75 | |
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 | |
T95 | N-(2,6-dimethylphenyl)-4-(2-ethoxyphenoxy)- 2-({4-[4-(2-hydroxyethyl)piperazin- 1-yl]phenyl}amino)pyrimidine-5- carboxamide | A,B | 3EQP | 0.71 | |
HDY | 1-(DIMETHYLAMINO)-3-(4-{{4-(2-METHYLIMIDAZO[1,2- A]PYRIDIN-3-YL)PYRIMIDIN-2-YL]AMINO}PHENOXY)PROPAN- 2-OL | A | 1OIR | 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 | 0.72 | |
PFH | 6,7-DIMETHOXY-4-[(3R)-3-(2-NAPHTHYLOXY)PYRROLIDIN- 1-YL]QUINAZOLINE | A | 2OVV | 0.73 | |
KIM | N~4~-methyl-N~4~-(3-methyl-1H-indazol- 6-yl)-N~2~-(3,4,5-trimethoxyphenyl)pyrimidine- 2,4-diamine | A | 3CJG | 0.77 | |
DTM | 2,4-DIAMINO-6-[N-(3',4',5'-TRIMETHOXYBENZYL)- N-METHYLAMINO]PYRIDO[2,3-D]PYRIMIDINE | A | 1MVS | 0.71 | |
DTM | 2,4-DIAMINO-6-[N-(3',4',5'-TRIMETHOXYBENZYL)- N-METHYLAMINO]PYRIDO[2,3-D]PYRIMIDINE | A | 1MVT | 0.71 | |
7PY | 7-PYRIDIN-2-YL-N-(3,4,5-TRIMETHOXYPHENYL)- 7H-PYRROLO[2,3-D]PYRIMIDIN-2-AMINE | A,B | 2ETM | 0.77 | |
BRL | 2,4-THIAZOLIDIINEDIONE, 5-[[4-[2- (METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]- (9CL) | A,D,U,X | 1FM6 | 0.72 | |
BRL | 2,4-THIAZOLIDIINEDIONE, 5-[[4-[2- (METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]- (9CL) | A,B | 2PRG | 0.72 | |
BRL | 2,4-THIAZOLIDIINEDIONE, 5-[[4-[2- (METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]- (9CL) | A | 1ZGY | 0.72 | |
BRL | 2,4-THIAZOLIDIINEDIONE, 5-[[4-[2- (METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]- (9CL) | A,B | 3CS8 | 0.72 | |
BRL | 2,4-THIAZOLIDIINEDIONE, 5-[[4-[2- (METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]- (9CL) | A,D | 3DZY | 0.72 | |
KS4 | 1-cyclobutyl-3-(3,4-dimethoxyphenyl)- 1H-pyrazolo[3,4-d]pyrimidin-4-amine | A,B | 3EN5 | 0.76 | |
351 | 1-(3-{5-[4-(aminomethyl)phenyl]- 1H-pyrrolo[2,3-b]pyridin-3-yl}phenyl)- 3-(2-phenoxyphenyl)urea | A,B | 3ETA | 0.71 | |
L5G | 7-methoxy-4-[(6-phenyl[1,2,4]triazolo[4,3- b]pyridazin-3-yl)methoxy]quinoline | A | 3CD8 | 0.75 | |
AK8 | 1-[3-methyl-4-({3-[2-(methylamino)pyrimidin- 4-yl]pyridin-2-yl}oxy)phenyl]-3- [3-(trifluoromethyl)phenyl]urea | A,B | 3EFW | 0.73 | |
MFR | 4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin- 3-yl)pyrimidin-2-amine | A,B,C,D | 3BHT | 0.7 | |
090 | N-(2,3-DIHYDRO-7,8-DIMETHOXYIMIDAZO[1,2- C] QUINAZOLIN-5-YL)NICOTINAMIDE | A | 2CHX | 0.7 | |
7X5 | N'-(5-chloro-1,3-benzodioxol-4- yl)-N-(3-methylsulfonylphenyl)pyrimidine- 2,4-diamine | A | 2VWY | 0.71 | |
AQZ | N-(3-{[7-METHOXY-6-(2-PYRROLIDIN- 1-YLETHOXY)QUINAZOLIN-4-YL]AMINO}- 4-METHYLPHENYL)-2-MORPHOLIN-4-YLISONICOTINAMIDE | A | 2BAK | 0.75 | |
608 | N-(4-phenoxyphenyl)-2-[(pyridin- 4-ylmethyl)amino]nicotinamide | A,B | 2P2I | 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 | 0.77 | |
AQ4 | [6,7-BIS(2-METHOXY-ETHOXY)QUINAZOLINE- 4-YL]-(3-ETHYNYLPHENYL)AMINE | A | 1M17 | 0.74 | |
PFJ | 6,7-DIMETHOXY-4-[(3R)-3-(QUINOXALIN- 2-YLOXY)PYRROLIDIN-1-YL]QUINAZOLINE | A | 2OVY | 0.74 | |
PFE | {4-[3-(6,7-DIETHOXY-QUINAZOLIN- 4-YLAMINO)-PHENYL]-THIAZOL-2-YL}- METHANOL | A,F | 1KZ8 | 0.8 | |
320 | 2-(4-fluorophenyl)-N-{[3-fluoro- 4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]carbamoyl}acetamide | A | 3CTJ | 0.73 | |
MHR | 4-(4-propoxy-1H-pyrrolo[2,3-b]pyridin- 3-yl)pyrimidin-2-amine | A,B,C,D | 3BHU | 0.72 | |
DTQ | 4-[3-HYDROXYANILINO]-6,7-DIMETHOXYQUINAZOLINE | A | 1DI8 | 0.72 | |
AK6 | 4-methoxy-N-phenyl-3-({3-[(1H-pyrrolo[2,3- b]pyridin-5-ylmethyl)sulfanyl]propanoyl}amino)benzamide | A | 3DJ6 | 0.73 | |
994 | 4-(2-anilinopyridin-3-yl)-N-(3,4,5- trimethoxyphenyl)-1,3,5-triazin- 2-amine | A | 2P2H | 0.75 | |
GS7 | 2-fluoro-6-{[2-({2-methoxy-4-[(methylsulfonyl)methyl]phenyl}amino)- 7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}benzamide | A | 3ELJ | 0.7 | |
Q4A | N-(1-benzylpiperidin-4-yl)-6,7- dimethoxy-2-(4-methyl-1,4-diazepan- 1-yl)quinazolin-4-amine | A,B | 3FPD | 0.72 | |
SAV | N~4~-(3-methyl-1H-indazol-6-yl)- N~2~-(3,4,5-trimethoxyphenyl)pyrimidine- 2,4-diamine | A | 3CJF | 0.78 | |
227 | 6,7-DIMETHOXY-4-{8-[(4-METHYLPIPERAZIN- 1-YL)SULFONYL]-3,4-DIHYDROISOQUINOLIN- 2(1H)-YL}QUINAZOLINE | A | 2O8H | 0.71 | |
S22 | 1-(4-(4-(2-(isopropylsulfonyl)phenylamino)- 1H-pyrrolo[2,3-b]pyridin-6-ylamino)- 3-methoxyphenyl)piperidin-4-ol | A | 3GFW | 0.75 | |
585 | 6-({5-fluoro-2-[(3,4,5-trimethoxyphenyl)amino]pyrimidin- 4-yl}amino)-2,2-dimethyl-2H-pyrido[3,2- b][1,4]oxazin-3(4H)-one | A | 3FQS | 0.71 |