Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01819136
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 |
DD3![]() | 5-[(1S)-1-(3-chlorophenyl)ethoxy]quinazoline- 2,4-diamine | A,B | 3BLA | 0.87 | ![]() |
DD2![]() | 5-{[1-(2,3-dichlorobenzyl)piperidin- 4-yl]methoxy}quinazoline-2,4-diamine | A | 3BL9 | 0.86 | ![]() |
MQ1![]() | 5-(4-METHOXYPHENOXY)-2,4-QUINAZOLINEDIAMINE | A,B | 1M79 | 0.82 | ![]() |
DD1![]() | 5-{[1-(2-fluorobenzyl)piperidin- 4-yl]methoxy}quinazoline-2,4-diamine | A | 3BL7 | 0.79 | ![]() |
COG![]() | 2,4-DIAMINO-6-[N-(2',5'-DIMETHOXYBENZYL)- N-METHYLAMINO]QUINAZOLINE | A | 1LY3 | 0.78 | ![]() |
5AP![]() | 5-(AMINOMETHYL)-6-(2,4-DICHLOROPHENYL)- 2-(3,5-DIMETHOXYPHENYL)PYRIMIDIN- 4-AMINE | A,B | 1RWQ | 0.76 | ![]() |
65B![]() | 4-({6-AMINO-5-BROMO-2-[(4-CYANOPHENYL)AMINO]PYRIMIDIN- 4-YL}OXY)-3,5-DIMETHYLBENZONITRILE | A | 1SV5 | 0.75 | ![]() |
QUN![]() | QUINACRINE | A,B | 1JQE | 0.75 | ![]() |
PFH![]() | 6,7-DIMETHOXY-4-[(3R)-3-(2-NAPHTHYLOXY)PYRROLIDIN- 1-YL]QUINAZOLINE | A | 2OVV | 0.75 | ![]() |
DTQ![]() | 4-[3-HYDROXYANILINO]-6,7-DIMETHOXYQUINAZOLINE | A | 1DI8 | 0.74 | ![]() |
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 | 0.74 | ![]() |
AQ4![]() | [6,7-BIS(2-METHOXY-ETHOXY)QUINAZOLINE- 4-YL]-(3-ETHYNYLPHENYL)AMINE | A | 1M17 | 0.74 | ![]() |
Q4A![]() | N-(1-benzylpiperidin-4-yl)-6,7- dimethoxy-2-(4-methyl-1,4-diazepan- 1-yl)quinazolin-4-amine | A,B | 3FPD | 0.73 | ![]() |
HXL![]() | 2-(4-(4-CARBAMIMIDOYLPHENOXY)PHENYL)- 1H-BENZO[D]IMIDAZOLE-6-CARBOXIMIDAMIDE | G | 2FJV | 0.73 | ![]() |
HXL![]() | 2-(4-(4-CARBAMIMIDOYLPHENOXY)PHENYL)- 1H-BENZO[D]IMIDAZOLE-6-CARBOXIMIDAMIDE | B | 2FJX | 0.73 | ![]() |
53R![]() | 5-[(3R)-3-(5-methoxybiphenyl-3- yl)but-1-yn-1-yl]-6-methylpyrimidine- 2,4-diamine | X | 3F0B | 0.73 | ![]() |
53R![]() | 5-[(3R)-3-(5-methoxybiphenyl-3- yl)but-1-yn-1-yl]-6-methylpyrimidine- 2,4-diamine | X | 3F0U | 0.73 | ![]() |
7X1![]() | N-(5-chloro-1,3-benzodioxol-4-yl)- 6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin- 4-amine | A | 2VWU | 0.73 | ![]() |
11F![]() | 5-[(3S)-3-(2-methoxybiphenyl-4- yl)but-1-yn-1-yl]-6-methylpyrimidine- 2,4-diamine | A | 3FQV | 0.72 | ![]() |
11F![]() | 5-[(3S)-3-(2-methoxybiphenyl-4- yl)but-1-yn-1-yl]-6-methylpyrimidine- 2,4-diamine | A | 3FQZ | 0.72 | ![]() |
3B9![]() | N-[2-(2,4-diaminopyrido[2,3-d]pyrimidin- 7-yl)-2-methylpropyl]-4-phenoxybenzamide | A | 3BAC | 0.72 | ![]() |
3B9![]() | N-[2-(2,4-diaminopyrido[2,3-d]pyrimidin- 7-yl)-2-methylpropyl]-4-phenoxybenzamide | A | 3BA9 | 0.72 | ![]() |
N22![]() | 5-[3-(2,5-dimethoxyphenyl)prop- 1-yn-1-yl]-6-ethylpyrimidine-2,4- diamine | A | 3FQ0 | 0.72 | ![]() |
N22![]() | 5-[3-(2,5-dimethoxyphenyl)prop- 1-yn-1-yl]-6-ethylpyrimidine-2,4- diamine | A,B | 3E0B | 0.72 | ![]() |
N22![]() | 5-[3-(2,5-dimethoxyphenyl)prop- 1-yn-1-yl]-6-ethylpyrimidine-2,4- diamine | A | 2KGK | 0.72 | ![]() |
N22![]() | 5-[3-(2,5-dimethoxyphenyl)prop- 1-yn-1-yl]-6-ethylpyrimidine-2,4- diamine | A,B | 3CSE | 0.72 | ![]() |
N22![]() | 5-[3-(2,5-dimethoxyphenyl)prop- 1-yn-1-yl]-6-ethylpyrimidine-2,4- diamine | A | 3FQO | 0.72 | ![]() |
DQU![]() | 2,6-DIAMINO-3H-QUINAZOLIN-4-ONE | A | 1R5Y | 0.72 | ![]() |
DQU![]() | 2,6-DIAMINO-3H-QUINAZOLIN-4-ONE | A | 1Q4W | 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 | 0.72 | ![]() |
HT1![]() | 2'-(4-ETHOXYPHENYL)-5-(4-METHYL- 1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE | A,B | 403D | 0.72 | ![]() |
HT1![]() | 2'-(4-ETHOXYPHENYL)-5-(4-METHYL- 1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE | A | 129D | 0.72 | ![]() |
HT1![]() | 2'-(4-ETHOXYPHENYL)-5-(4-METHYL- 1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE | A,B | 130D | 0.72 | ![]() |
HT1![]() | 2'-(4-ETHOXYPHENYL)-5-(4-METHYL- 1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE | A | 3F8C | 0.72 | ![]() |
972![]() | 2-{5-[AMINO(IMINIO)METHYL]-6-CHLORO- 1H-BENZIMIDAZOL-2-YL}-6-ISOBUTOXYBENZENOLATE | A | 1O2P | 0.72 | ![]() |
7IP![]() | 6-[2-(3'-METHOXYBIPHENYL-3-YL)ETHYL]PYRIDIN- 2-AMINE | A | 2OHQ | 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 | 0.72 | ![]() |
GW7![]() | N-{3-chloro-4-[(3-fluorobenzyl)oxy]phenyl}- 6-ethylthieno[3,2-d]pyrimidin-4- amine | A,B | 2R4B | 0.71 | ![]() |
ADB![]() | 4-[4-AMINO-6-(2,6-DICHLORO-PHENOXY)- [1,3,5]TRIAZIN-2-YLAMINO]-BENZONITRILE | A | 1S9E | 0.71 | ![]() |
PFJ![]() | 6,7-DIMETHOXY-4-[(3R)-3-(QUINOXALIN- 2-YLOXY)PYRROLIDIN-1-YL]QUINAZOLINE | A | 2OVY | 0.71 | ![]() |
FBL![]() | (2S)-1-[4-({4-[(2,5-DICHLOROPHENYL)AMINO]PYRIMIDIN- 2-YL}AMINO)PHENOXY]-3-(DIMETHYLAMINO)PROPAN- 2-OL | A | 1H01 | 0.71 | ![]() |
L5G![]() | 7-methoxy-4-[(6-phenyl[1,2,4]triazolo[4,3- b]pyridazin-3-yl)methoxy]quinoline | A | 3CD8 | 0.71 | ![]() |
FAL![]() | (2R)-1-[4-({4-[(2,5-DICHLOROPHENYL)AMINO]PYRIMIDIN- 2-YL}AMINO)PHENOXY]-3-(DIMETHYLAMINO)PROPAN- 2-OL | A | 1H01 | 0.71 | ![]() |
MSQ![]() | 4-[3-METHYLSULFANYLANILINO]-6,7- DIMETHOXYQUINAZOLINE | A | 1DI9 | 0.71 | ![]() |
185![]() | (6-[4-(AMINOMETHYL)-2,6-DIMETHYLPHENOXY]- 2-{[4-(AMINOMETHYL)PHENYL]AMINO}- 5-BROMOPYRIMIDIN-4-YL)METHANOL | A | 1SUQ | 0.71 | ![]() |
PRD![]() | N6-(2,5-DIMETHOXY-BENZYL)-N6-METHYL- PYRIDO[2,3-D]PYRIMIDINE-2,4,6-TRIAMINE | A | 1BOZ | 0.71 | ![]() |
LIC![]() | 3-(2-CHLOROBENZYL)-1-(2-{[(1S)- 2-HYDROXY-1,2-DIMETHYLPROPYL]AMINO}PYRIMIDIN- 4-YL)-1-(4-METHOXYPHENYL)UREA | A | 2GHM | 0.71 | ![]() |
TMQ![]() | TRIMETREXATE | A,B,C,D | 3CLB | 0.7 | ![]() |
TMQ![]() | TRIMETREXATE | A | 1BZF | 0.7 | ![]() |
TMQ![]() | TRIMETREXATE | A,B,C,D | 3HBB | 0.7 | ![]() |
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 | 0.7 | ![]() |
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 | 0.7 | ![]() |
762![]() | 3-{5-[AMINO(IMINIO)METHYL]-6-CHLORO- 1H-BENZIMIDAZOL-2-YL}-1,1'-BIPHENYL- 2-OLATE | A | 1O2N | 0.7 | ![]() |
762![]() | 3-{5-[AMINO(IMINIO)METHYL]-6-CHLORO- 1H-BENZIMIDAZOL-2-YL}-1,1'-BIPHENYL- 2-OLATE | A | 1O2M | 0.7 | ![]() |
762![]() | 3-{5-[AMINO(IMINIO)METHYL]-6-CHLORO- 1H-BENZIMIDAZOL-2-YL}-1,1'-BIPHENYL- 2-OLATE | A | 1O2L | 0.7 | ![]() |
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 | 0.7 | ![]() |
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 | 0.7 | ![]() |