Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03014829
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 |
MQ1 | 5-(4-METHOXYPHENOXY)-2,4-QUINAZOLINEDIAMINE | A,B | 1M79 | 0.73 | |
GW7 | N-{3-chloro-4-[(3-fluorobenzyl)oxy]phenyl}- 6-ethylthieno[3,2-d]pyrimidin-4- amine | A,B | 2R4B | 0.71 | |
53R | 5-[(3R)-3-(5-methoxybiphenyl-3- yl)but-1-yn-1-yl]-6-methylpyrimidine- 2,4-diamine | X | 3F0B | 0.71 | |
53R | 5-[(3R)-3-(5-methoxybiphenyl-3- yl)but-1-yn-1-yl]-6-methylpyrimidine- 2,4-diamine | X | 3F0U | 0.71 | |
77A | 1-(5-CHLORO-2-METHOXYPHENYL)-3- {6-[2-(DIMETHYLAMINO)-1-METHYLETHOXY]PYRAZIN- 2-YL}UREA | A | 2E9P | 0.72 | |
LIC | 3-(2-CHLOROBENZYL)-1-(2-{[(1S)- 2-HYDROXY-1,2-DIMETHYLPROPYL]AMINO}PYRIMIDIN- 4-YL)-1-(4-METHOXYPHENYL)UREA | A | 2GHM | 0.74 | |
A25 | 18-CHLORO-11,12,13,14-TETRAHYDRO- 1H,10H-8,4-(AZENO)-9,15,1,3,6-BENZODIOXATRIAZACYCLOHEPTADECIN- 2-ONE | A | 2E9U | 0.72 | |
11F | 5-[(3S)-3-(2-methoxybiphenyl-4- yl)but-1-yn-1-yl]-6-methylpyrimidine- 2,4-diamine | A | 3FQV | 0.7 | |
11F | 5-[(3S)-3-(2-methoxybiphenyl-4- yl)but-1-yn-1-yl]-6-methylpyrimidine- 2,4-diamine | A | 3FQZ | 0.7 | |
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 | 0.76 | |
7X3 | N'-(3-CHLORO-4-METHOXY-PHENYL)- N-(3,4,5-TRIMETHOXYPHENYL)-1,3,5- TRIAZINE-2,4-DIAMINE | A | 2VWV | 0.72 | |
DD3 | 5-[(1S)-1-(3-chlorophenyl)ethoxy]quinazoline- 2,4-diamine | A,B | 3BLA | 0.78 | |
65B | 4-({6-AMINO-5-BROMO-2-[(4-CYANOPHENYL)AMINO]PYRIMIDIN- 4-YL}OXY)-3,5-DIMETHYLBENZONITRILE | A | 1SV5 | 0.72 | |
FAL | (2R)-1-[4-({4-[(2,5-DICHLOROPHENYL)AMINO]PYRIMIDIN- 2-YL}AMINO)PHENOXY]-3-(DIMETHYLAMINO)PROPAN- 2-OL | A | 1H01 | 0.74 | |
7IP | 6-[2-(3'-METHOXYBIPHENYL-3-YL)ETHYL]PYRIDIN- 2-AMINE | A | 2OHQ | 0.71 | |
972 | 2-{5-[AMINO(IMINIO)METHYL]-6-CHLORO- 1H-BENZIMIDAZOL-2-YL}-6-ISOBUTOXYBENZENOLATE | A | 1O2P | 0.72 | |
R8E | 3-{5-[(6-amino-1H-pyrazolo[3,4- b]pyridin-3-yl)methoxy]-2-chlorophenoxy}- 5-chlorobenzonitrile | A | 3DRP | 0.72 | |
R8E | 3-{5-[(6-amino-1H-pyrazolo[3,4- b]pyridin-3-yl)methoxy]-2-chlorophenoxy}- 5-chlorobenzonitrile | A | 3DRR | 0.72 | |
185 | (6-[4-(AMINOMETHYL)-2,6-DIMETHYLPHENOXY]- 2-{[4-(AMINOMETHYL)PHENYL]AMINO}- 5-BROMOPYRIMIDIN-4-YL)METHANOL | A | 1SUQ | 0.71 | |
FBL | (2S)-1-[4-({4-[(2,5-DICHLOROPHENYL)AMINO]PYRIMIDIN- 2-YL}AMINO)PHENOXY]-3-(DIMETHYLAMINO)PROPAN- 2-OL | A | 1H01 | 0.74 | |
LIB | 3-(2-CHLOROPHENYL)-1-(2-{[(1S)- 2-HYDROXY-1,2-DIMETHYLPROPYL]AMINO}PYRIMIDIN- 4-YL)-1-(4-METHOXYPHENYL)UREA | A | 2GHL | 0.71 | |
5AP | 5-(AMINOMETHYL)-6-(2,4-DICHLOROPHENYL)- 2-(3,5-DIMETHOXYPHENYL)PYRIMIDIN- 4-AMINE | A,B | 1RWQ | 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 | 1JIP | 0.71 | |
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 | 0.71 | |
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 | 0.71 | |
3FP | (2R)-1-(DIMETHYLAMINO)-3-{4-[(6- {[2-FLUORO-5-(TRIFLUOROMETHYL)PHENYL]AMINO}PYRIMIDIN- 4-YL)AMINO]PHENOXY}PROPAN-2-OL | A | 1V1K | 0.72 | |
ADB | 4-[4-AMINO-6-(2,6-DICHLORO-PHENOXY)- [1,3,5]TRIAZIN-2-YLAMINO]-BENZONITRILE | A | 1S9E | 0.84 | |
HXL | 2-(4-(4-CARBAMIMIDOYLPHENOXY)PHENYL)- 1H-BENZO[D]IMIDAZOLE-6-CARBOXIMIDAMIDE | G | 2FJV | 0.7 | |
HXL | 2-(4-(4-CARBAMIMIDOYLPHENOXY)PHENYL)- 1H-BENZO[D]IMIDAZOLE-6-CARBOXIMIDAMIDE | B | 2FJX | 0.7 | |
DD2 | 5-{[1-(2,3-dichlorobenzyl)piperidin- 4-yl]methoxy}quinazoline-2,4-diamine | A | 3BL9 | 0.74 |