Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01734972
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 | |
65B | 4-({6-AMINO-5-BROMO-2-[(4-CYANOPHENYL)AMINO]PYRIMIDIN- 4-YL}OXY)-3,5-DIMETHYLBENZONITRILE | A | 1SV5 | 0.73 | |
PU2 | 8-(2,5-DIMETHOXY-BENZYL)-2-FLUORO- 9H-PURIN-6-YLAMINE | A | 1UYG | 0.71 | |
53R | 5-[(3R)-3-(5-methoxybiphenyl-3- yl)but-1-yn-1-yl]-6-methylpyrimidine- 2,4-diamine | X | 3F0B | 0.79 | |
53R | 5-[(3R)-3-(5-methoxybiphenyl-3- yl)but-1-yn-1-yl]-6-methylpyrimidine- 2,4-diamine | X | 3F0U | 0.79 | |
MXA | 6-(2,5-DIMETHOXY-BENZYL)-5-METHYL- PYRIDO[2,3-D]PYRIMIDINE-2,4-DIAMINE | A | 1U71 | 0.73 | |
MXA | 6-(2,5-DIMETHOXY-BENZYL)-5-METHYL- PYRIDO[2,3-D]PYRIMIDINE-2,4-DIAMINE | A | 1DLR | 0.73 | |
CIE | 2-[[[[(4-CHLORO-6-METHOXY-2-PYRIMIDINYL)AMINO]CARBONYL]AMINO]SULFONYL]BENZOIC ACID ETHYL ESTER | A,B | 1N0H | 0.7 | |
CIE | 2-[[[[(4-CHLORO-6-METHOXY-2-PYRIMIDINYL)AMINO]CARBONYL]AMINO]SULFONYL]BENZOIC ACID ETHYL ESTER | A | 1YBH | 0.7 | |
LII | (Z)-6-(2-[2,5-DIMETHOXYPHENYL]ETHEN- 1-YL)-2,4-DIAMINO-5-METHYLPYRIDO[2,3- D]PYRIMIDINE | A | 1KMV | 0.73 | |
LIC | 3-(2-CHLOROBENZYL)-1-(2-{[(1S)- 2-HYDROXY-1,2-DIMETHYLPROPYL]AMINO}PYRIMIDIN- 4-YL)-1-(4-METHOXYPHENYL)UREA | A | 2GHM | 0.7 | |
COG | 2,4-DIAMINO-6-[N-(2',5'-DIMETHOXYBENZYL)- N-METHYLAMINO]QUINAZOLINE | A | 1LY3 | 0.71 | |
C4F | 3-(3-methoxybenzyl)-1H-pyrrolo[2,3- b]pyridine | A,B | 3C4F | 0.71 | |
AX6 | 6-[(4-methoxybenzyl)sulfanyl]pyrimidine- 2,4-diamine | A,B,C,D | 3BMR | 0.84 | |
DH1 | 2,4-DIAMINO-5-[2-METHOXY-5-(4-CARBOXYBUTYLOXY)BENZYL]PYRIMIDINE | A | 2FZH | 0.72 | |
7IP | 6-[2-(3'-METHOXYBIPHENYL-3-YL)ETHYL]PYRIDIN- 2-AMINE | A | 2OHQ | 0.74 | |
LZK | 6-(2,6-DIMETHOXYPHENYL)PYRIDO[2,3- D]PYRIMIDINE-2,7-DIAMINE | A,B | 2V59 | 0.73 | |
PU5 | 9-BUTYL-8-(3-METHOXYBENZYL)-9H- PURIN-6-AMINE | A | 1UY8 | 0.72 | |
DH3 | A | 2FZJ | 0.72 | ||
DH3 | A | 2FZI | 0.72 | ||
11F | 5-[(3S)-3-(2-methoxybiphenyl-4- yl)but-1-yn-1-yl]-6-methylpyrimidine- 2,4-diamine | A | 3FQV | 0.79 | |
11F | 5-[(3S)-3-(2-methoxybiphenyl-4- yl)but-1-yn-1-yl]-6-methylpyrimidine- 2,4-diamine | A | 3FQZ | 0.79 | |
PU0 | 9-BUTYL-8-(2,5-DIMETHOXY-BENZYL)- 2-FLUORO-9H-PURIN-6-YLAMINE | A | 1UYH | 0.7 | |
N22 | 5-[3-(2,5-dimethoxyphenyl)prop- 1-yn-1-yl]-6-ethylpyrimidine-2,4- diamine | A | 3FQ0 | 0.8 | |
N22 | 5-[3-(2,5-dimethoxyphenyl)prop- 1-yn-1-yl]-6-ethylpyrimidine-2,4- diamine | A,B | 3E0B | 0.8 | |
N22 | 5-[3-(2,5-dimethoxyphenyl)prop- 1-yn-1-yl]-6-ethylpyrimidine-2,4- diamine | A | 2KGK | 0.8 | |
N22 | 5-[3-(2,5-dimethoxyphenyl)prop- 1-yn-1-yl]-6-ethylpyrimidine-2,4- diamine | A,B | 3CSE | 0.8 | |
N22 | 5-[3-(2,5-dimethoxyphenyl)prop- 1-yn-1-yl]-6-ethylpyrimidine-2,4- diamine | A | 3FQO | 0.8 | |
TOP | TRIMETHOPRIM | A | 1DG5 | 0.77 | |
TOP | TRIMETHOPRIM | A,B,C,D,E,F | 2W9S | 0.77 | |
TOP | TRIMETHOPRIM | A,B,C,D | 2BFM | 0.77 | |
TOP | TRIMETHOPRIM | A | 2W9G | 0.77 | |
TOP | TRIMETHOPRIM | A,B,C,D,E,F, G,H | 3FL9 | 0.77 | |
TOP | TRIMETHOPRIM | A | 1DYR | 0.77 | |
TOP | TRIMETHOPRIM | A | 2W9H | 0.77 | |
TRR | 2,4-DIAMINO-5-(3,4,5-TRIMETHOXY- BENZYL)-PYRIMIDIN-1-IUM | A | 1YHO | 0.74 | |
TRR | 2,4-DIAMINO-5-(3,4,5-TRIMETHOXY- BENZYL)-PYRIMIDIN-1-IUM | A | 1LUD | 0.74 | |
TRR | 2,4-DIAMINO-5-(3,4,5-TRIMETHOXY- BENZYL)-PYRIMIDIN-1-IUM | A | 2HM9 | 0.74 | |
PU4 | 9-BUTYL-8-(4-METHOXYBENZYL)-9H- PURIN-6-AMINE | A | 1UY7 | 0.73 | |
5AP | 5-(AMINOMETHYL)-6-(2,4-DICHLOROPHENYL)- 2-(3,5-DIMETHOXYPHENYL)PYRIMIDIN- 4-AMINE | A,B | 1RWQ | 0.77 | |
DD3 | 5-[(1S)-1-(3-chlorophenyl)ethoxy]quinazoline- 2,4-diamine | A,B | 3BLA | 0.76 | |
55V | 6-methyl-5-[3-methyl-3-(3,4,5-trimethoxyphenyl)but- 1-yn-1-yl]pyrimidine-2,4-diamine | A,B | 3FQC | 0.75 | |
55V | 6-methyl-5-[3-methyl-3-(3,4,5-trimethoxyphenyl)but- 1-yn-1-yl]pyrimidine-2,4-diamine | A | 3FQF | 0.75 |