Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01284126
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 | |
447 | N-(4-{[6-methoxy-7-(3-morpholin- 4-ylpropoxy)quinazolin-4-yl]amino}phenyl)benzamide | A,B | 2VRX | 0.75 | |
KTN | CIS-1-ACETYL-4-(4-((2-(2,4-DICHLOROPHENYL)- 2-(1H-IMIDAZOL-1-YLMETHYL)-1,3- DIOXOLAN-4-YL)METHOXY)PHENYL)PIPERAZINE | A | 1JIP | 0.73 | |
KTN | CIS-1-ACETYL-4-(4-((2-(2,4-DICHLOROPHENYL)- 2-(1H-IMIDAZOL-1-YLMETHYL)-1,3- DIOXOLAN-4-YL)METHOXY)PHENYL)PIPERAZINE | A | 1JIN | 0.73 | |
KLN | 1-ACETYL-4-(4-{[(2S,4R)-2-(2,4- DICHLOROPHENYL)-2-(1H-IMIDAZOL- 1-YLMETHYL)-1,3-DIOXOLAN-4-YL]METHOXY}PHENYL)PIPERAZINE | A,B,C,D | 2V0M | 0.73 | |
PU6 | 8-BENZO[1,3]DIOXOL-,5-YLMETHYL- 9-BUTYL-9H- | A | 1UY9 | 0.71 | |
MSQ | 4-[3-METHYLSULFANYLANILINO]-6,7- DIMETHOXYQUINAZOLINE | A | 1DI9 | 0.72 | |
2RL | N-(4-CHLOROPHENYL)-7-[(6,7-DIMETHOXYQUINOLIN- 4-YL)OXY]-2,3-DIHYDRO-1,4-BENZOXAZINE- 4-CARBOXAMIDE | A | 2RL5 | 0.75 | |
DD3 | 5-[(1S)-1-(3-chlorophenyl)ethoxy]quinazoline- 2,4-diamine | A,B | 3BLA | 0.74 | |
972 | 2-{5-[AMINO(IMINIO)METHYL]-6-CHLORO- 1H-BENZIMIDAZOL-2-YL}-6-ISOBUTOXYBENZENOLATE | A | 1O2P | 0.71 | |
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 | |
342 | (3S)-1-(1,3-BENZODIOXOL-5-YLMETHYL)- 3-[4-(1H-IMIDAZOL-1-YL)PHENOXY]PIPERIDINE | A | 2ORT | 0.71 | |
AQ4 | [6,7-BIS(2-METHOXY-ETHOXY)QUINAZOLINE- 4-YL]-(3-ETHYNYLPHENYL)AMINE | A | 1M17 | 0.76 | |
FBL | (2S)-1-[4-({4-[(2,5-DICHLOROPHENYL)AMINO]PYRIMIDIN- 2-YL}AMINO)PHENOXY]-3-(DIMETHYLAMINO)PROPAN- 2-OL | A | 1H01 | 0.71 | |
AK8 | 1-[3-methyl-4-({3-[2-(methylamino)pyrimidin- 4-yl]pyridin-2-yl}oxy)phenyl]-3- [3-(trifluoromethyl)phenyl]urea | A,B | 3EFW | 0.71 | |
LIB | 3-(2-CHLOROPHENYL)-1-(2-{[(1S)- 2-HYDROXY-1,2-DIMETHYLPROPYL]AMINO}PYRIMIDIN- 4-YL)-1-(4-METHOXYPHENYL)UREA | A | 2GHL | 0.7 | |
7X6 | N-[3-[[4-[(5-CHLORO-1,3-BENZODIOXOL- 4-YL)AMINO]PYRIMIDIN-2-YL]AMINO]PHENYL]METHANESULFONAMIDE | A | 2VWZ | 0.74 | |
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 | 0.71 | |
7X2 | A | 2VWW | 0.74 | ||
LIC | 3-(2-CHLOROBENZYL)-1-(2-{[(1S)- 2-HYDROXY-1,2-DIMETHYLPROPYL]AMINO}PYRIMIDIN- 4-YL)-1-(4-METHOXYPHENYL)UREA | A | 2GHM | 0.72 | |
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 | 0.71 | |
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 | 0.72 | |
FAL | (2R)-1-[4-({4-[(2,5-DICHLOROPHENYL)AMINO]PYRIMIDIN- 2-YL}AMINO)PHENOXY]-3-(DIMETHYLAMINO)PROPAN- 2-OL | A | 1H01 | 0.71 | |
QQ2 | [(2-CHLORO-5-METHYLPHENYL){6-[(4- {[(2R)-3-(DIMETHYLAMINO)-2-HYDROXYPROPYL]OXY}PHENYL)AMINO]PYRIMIDIN- 4-YL}AMINO]ACETONITRILE | A,B,C,D | 2IW6 | 0.73 | |
PFE | {4-[3-(6,7-DIETHOXY-QUINAZOLIN- 4-YLAMINO)-PHENYL]-THIAZOL-2-YL}- METHANOL | A,F | 1KZ8 | 0.71 | |
DTQ | 4-[3-HYDROXYANILINO]-6,7-DIMETHOXYQUINAZOLINE | A | 1DI8 | 0.75 | |
7X5 | N'-(5-chloro-1,3-benzodioxol-4- yl)-N-(3-methylsulfonylphenyl)pyrimidine- 2,4-diamine | A | 2VWY | 0.71 | |
7X7 | N'-(5-CHLORO-1,3-BENZODIOXOL-4- YL)-N-(3-MORPHOLIN-4-YLPHENYL)PYRIMIDINE- 2,4-DIAMINE | A | 2VX0 | 0.75 | |
AQZ | N-(3-{[7-METHOXY-6-(2-PYRROLIDIN- 1-YLETHOXY)QUINAZOLIN-4-YL]AMINO}- 4-METHYLPHENYL)-2-MORPHOLIN-4-YLISONICOTINAMIDE | A | 2BAK | 0.75 | |
7X8 | 3-({4-[(5-CHLORO-1,3-BENZODIOXOL- 4-YL)AMINO]PYRIMIDIN-2-YL}AMINO)BENZAMIDE | A | 2VX1 | 0.77 | |
HPM | N-{5-[(7-{[(2S)-2-HYDROXY-3-PIPERIDIN- 1-YLPROPYL]OXY}-6-METHOXYQUINAZOLIN- 4-YL)AMINO]PYRIMIDIN-2-YL}BENZAMIDE | A,B | 2C6E | 0.71 | |
7X4 | 3-({4-[(5-chloro-1,3-benzodioxol- 4-yl)amino]pyrimidin-2-yl}amino)benzenesulfonamide | A | 2VWX | 0.73 | |
PFH | 6,7-DIMETHOXY-4-[(3R)-3-(2-NAPHTHYLOXY)PYRROLIDIN- 1-YL]QUINAZOLINE | A | 2OVV | 0.76 | |
DD1 | 5-{[1-(2-fluorobenzyl)piperidin- 4-yl]methoxy}quinazoline-2,4-diamine | A | 3BL7 | 0.7 | |
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 | |
H8H | N-(5-CHLORO-1,3-BENZODIOXOL-4-YL)- 7-[2-(4-METHYLPIPERAZIN-1-YL)ETHOXY]- 5-(TETRAHYDRO-2H-PYRAN-4-YLOXY)QUINAZOLIN- 4-AMINE | A | 2H8H | 0.79 | |
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 | |
PFJ | 6,7-DIMETHOXY-4-[(3R)-3-(QUINOXALIN- 2-YLOXY)PYRROLIDIN-1-YL]QUINAZOLINE | A | 2OVY | 0.73 | |
7X1 | N-(5-chloro-1,3-benzodioxol-4-yl)- 6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin- 4-amine | A | 2VWU | 0.84 | |
DD2 | 5-{[1-(2,3-dichlorobenzyl)piperidin- 4-yl]methoxy}quinazoline-2,4-diamine | A | 3BL9 | 0.74 |