Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03742337
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 |
DD2![]() | 5-{[1-(2,3-dichlorobenzyl)piperidin- 4-yl]methoxy}quinazoline-2,4-diamine | A | 3BL9 | 0.71 | ![]() |
2RL![]() | N-(4-CHLOROPHENYL)-7-[(6,7-DIMETHOXYQUINOLIN- 4-YL)OXY]-2,3-DIHYDRO-1,4-BENZOXAZINE- 4-CARBOXAMIDE | A | 2RL5 | 0.73 | ![]() |
5AP![]() | 5-(AMINOMETHYL)-6-(2,4-DICHLOROPHENYL)- 2-(3,5-DIMETHOXYPHENYL)PYRIMIDIN- 4-AMINE | A,B | 1RWQ | 0.81 | ![]() |
7PC![]() | 2-[4-(AMINOMETHYL)-2-CHLOROPHENOXY]- 5-PYRIDIN-2-YLPHENOL | A,B | 2OP0 | 0.74 | ![]() |
DD3![]() | 5-[(1S)-1-(3-chlorophenyl)ethoxy]quinazoline- 2,4-diamine | A,B | 3BLA | 0.75 | ![]() |
RO0![]() | 1-(3,4-DIMETHOXYBENZYL)-6,7-DIMETHOXY- 4-{[4-(2-METHOXYPHENYL)PIPERIDIN- 1-YL]METHYL}ISOQUINOLINE | A | 2FVJ | 0.7 | ![]() |
AQ4![]() | [6,7-BIS(2-METHOXY-ETHOXY)QUINAZOLINE- 4-YL]-(3-ETHYNYLPHENYL)AMINE | A | 1M17 | 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 | 0.72 | ![]() |
PU3![]() | 9-BUTYL-8-(3,4,5-TRIMETHOXYBENZYL)- 9H-PURIN-6-AMINE | A | 1UYM | 0.71 | ![]() |
PU3![]() | 9-BUTYL-8-(3,4,5-TRIMETHOXYBENZYL)- 9H-PURIN-6-AMINE | A | 1UY6 | 0.71 | ![]() |
991![]() | 2-{5-[AMINO(IMINIO)METHYL]-6-CHLORO- 1H-INDOL-2-YL}-6-(CYCLOPENTYLOXY)BENZENOLATE | A | 1O2Q | 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 | ![]() |
QUN![]() | QUINACRINE | A,B | 1JQE | 0.73 | ![]() |
PU9![]() | 8-(2-CHLORO-3,4,5-TRIMETHOXY-BENZYL)- 9-PENT-4-YLNYL-9H-PURIN-6-YLAMINE | A | 1UYE | 0.72 | ![]() |
TMQ![]() | TRIMETREXATE | A,B,C,D | 3CLB | 0.74 | ![]() |
TMQ![]() | TRIMETREXATE | A | 1BZF | 0.74 | ![]() |
TMQ![]() | TRIMETREXATE | A,B,C,D | 3HBB | 0.74 | ![]() |
7IP![]() | 6-[2-(3'-METHOXYBIPHENYL-3-YL)ETHYL]PYRIDIN- 2-AMINE | A | 2OHQ | 0.81 | ![]() |
11F![]() | 5-[(3S)-3-(2-methoxybiphenyl-4- yl)but-1-yn-1-yl]-6-methylpyrimidine- 2,4-diamine | A | 3FQV | 0.73 | ![]() |
11F![]() | 5-[(3S)-3-(2-methoxybiphenyl-4- yl)but-1-yn-1-yl]-6-methylpyrimidine- 2,4-diamine | A | 3FQZ | 0.73 | ![]() |
253![]() | 10,11-dimethoxy-4-methyldibenzo[c,f]- 2,7-naphthyridine-3,6-diamine | A | 2R7B | 0.74 | ![]() |
COG![]() | 2,4-DIAMINO-6-[N-(2',5'-DIMETHOXYBENZYL)- N-METHYLAMINO]QUINAZOLINE | A | 1LY3 | 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 | 0.7 | ![]() |
8PC![]() | 2-(2,4-DICHLOROPHENOXY)-5-(PYRIDIN- 2-YLMETHYL)PHENOL | A,B | 2OP1 | 0.73 | ![]() |
8PC![]() | 2-(2,4-DICHLOROPHENOXY)-5-(PYRIDIN- 2-YLMETHYL)PHENOL | A,B,C,D | 3FNE | 0.73 | ![]() |
972![]() | 2-{5-[AMINO(IMINIO)METHYL]-6-CHLORO- 1H-BENZIMIDAZOL-2-YL}-6-ISOBUTOXYBENZENOLATE | A | 1O2P | 0.72 | ![]() |
TOP![]() | TRIMETHOPRIM | A | 1DG5 | 0.72 | ![]() |
TOP![]() | TRIMETHOPRIM | A,B,C,D,E,F | 2W9S | 0.72 | ![]() |
TOP![]() | TRIMETHOPRIM | A,B,C,D | 2BFM | 0.72 | ![]() |
TOP![]() | TRIMETHOPRIM | A | 2W9G | 0.72 | ![]() |
TOP![]() | TRIMETHOPRIM | A,B,C,D,E,F, G,H | 3FL9 | 0.72 | ![]() |
TOP![]() | TRIMETHOPRIM | A | 1DYR | 0.72 | ![]() |
TOP![]() | TRIMETHOPRIM | A | 2W9H | 0.72 | ![]() |
55V![]() | 6-methyl-5-[3-methyl-3-(3,4,5-trimethoxyphenyl)but- 1-yn-1-yl]pyrimidine-2,4-diamine | A,B | 3FQC | 0.78 | ![]() |
55V![]() | 6-methyl-5-[3-methyl-3-(3,4,5-trimethoxyphenyl)but- 1-yn-1-yl]pyrimidine-2,4-diamine | A | 3FQF | 0.78 | ![]() |
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 | ![]() |
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 | ![]() |
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 | 0.7 | ![]() |
DTM![]() | 2,4-DIAMINO-6-[N-(3',4',5'-TRIMETHOXYBENZYL)- N-METHYLAMINO]PYRIDO[2,3-D]PYRIMIDINE | A | 1MVS | 0.72 | ![]() |
DTM![]() | 2,4-DIAMINO-6-[N-(3',4',5'-TRIMETHOXYBENZYL)- N-METHYLAMINO]PYRIDO[2,3-D]PYRIMIDINE | A | 1MVT | 0.72 | ![]() |
TRR![]() | 2,4-DIAMINO-5-(3,4,5-TRIMETHOXY- BENZYL)-PYRIMIDIN-1-IUM | A | 1YHO | 0.7 | ![]() |
TRR![]() | 2,4-DIAMINO-5-(3,4,5-TRIMETHOXY- BENZYL)-PYRIMIDIN-1-IUM | A | 1LUD | 0.7 | ![]() |
TRR![]() | 2,4-DIAMINO-5-(3,4,5-TRIMETHOXY- BENZYL)-PYRIMIDIN-1-IUM | A | 2HM9 | 0.7 | ![]() |
PU1![]() | 8-(2-CHLORO-3,4,5-TRIMETHOXY-BENZYL)- 2-FLUORO-9-PENT-4-YLNYL-9H-PURIN- 6-YLAMINE | A | 1UYF | 0.72 | ![]() |
CO4![]() | 2,4-DIAMINO-5-METHYL-6-[(3,4,5- TRIMETHOXY-N-METHYLANILINO)METHYL]PYRIDO[2,3- D]PYRIMIDINE | A | 1PD8 | 0.71 | ![]() |
CO4![]() | 2,4-DIAMINO-5-METHYL-6-[(3,4,5- TRIMETHOXY-N-METHYLANILINO)METHYL]PYRIDO[2,3- D]PYRIMIDINE | A | 1PD9 | 0.71 | ![]() |
994![]() | 4-(2-anilinopyridin-3-yl)-N-(3,4,5- trimethoxyphenyl)-1,3,5-triazin- 2-amine | A | 2P2H | 0.74 | ![]() |
MQ1![]() | 5-(4-METHOXYPHENOXY)-2,4-QUINAZOLINEDIAMINE | A,B | 1M79 | 0.71 | ![]() |
DTQ![]() | 4-[3-HYDROXYANILINO]-6,7-DIMETHOXYQUINAZOLINE | A | 1DI8 | 0.72 | ![]() |
PU8![]() | 9-BUTYL-8-(2-CHLORO-3,4,5-TRIMETHOXY- BENZYL)-9H-PURIN-6-YLAMINE | A | 1UYD | 0.73 | ![]() |
Q4A![]() | N-(1-benzylpiperidin-4-yl)-6,7- dimethoxy-2-(4-methyl-1,4-diazepan- 1-yl)quinazolin-4-amine | A,B | 3FPD | 0.7 | ![]() |