Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03187770
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 |
AM7![]() | 2-benzyl-5-(3-fluoro-4-{[6-methoxy- 7-(3-morpholin-4-ylpropoxy)quinolin- 4-yl]oxy}phenyl)-3-methylpyrimidin- 4(3H)-one | A,B | 2RFN | 0.7 | ![]() |
GVB![]() | (3R,4S)-1-(3,4-DIMETHOXYPHENYL)- 3-(3-METHYLPHENYL)PIPERIDIN-4-AMINE | A,B | 2JID | 0.71 | ![]() |
DEH![]() | 2,9-dihydroxy-3,10-dimethoxy-5,6- dihydroisoquino[3,2-a]isoquinolinium | A | 3GSY | 0.81 | ![]() |
2RL![]() | N-(4-CHLOROPHENYL)-7-[(6,7-DIMETHOXYQUINOLIN- 4-YL)OXY]-2,3-DIHYDRO-1,4-BENZOXAZINE- 4-CARBOXAMIDE | A | 2RL5 | 0.73 | ![]() |
9IP![]() | N~3~-[3-(5-METHOXYPYRIDIN-3-YL)BENZYL]PYRIDINE- 2,3-DIAMINE | A | 2OHS | 0.74 | ![]() |
897![]() | N-[3-(TERT-BUTYLAMINO)-3-OXOPROPYL]- N-ISOPROPYL-3-METHYL-5-{[(2S)-2- (PYRIDIN-4-YLAMINO)PROPYL]OXY}BENZAMIDE | B,H | 2UUK | 0.71 | ![]() |
994![]() | 4-(2-anilinopyridin-3-yl)-N-(3,4,5- trimethoxyphenyl)-1,3,5-triazin- 2-amine | A | 2P2H | 0.79 | ![]() |
W37![]() | N-(6-{[1-(4-BROMOPHENYL)ISOQUINOLIN- 6-YL]OXY}HEXYL)-N-METHYLPROP-2- EN-1-AMINE | A,B,C | 1O6H | 0.77 | ![]() |
896![]() | N-ETHYL-N-ISOPROPYL-3-METHYL-5- {[(2S)-2-(PYRIDIN-4-YLAMINO)PROPYL]OXY}BENZAMIDE | B,H | 2UUJ | 0.73 | ![]() |
I48![]() | N-{3-METHYL-5-[2-(PYRIDIN-4-YLAMINO)- ETHOXY]-PHENYL}-BENZENESULFONAMIDE | H | 1UVT | 0.71 | ![]() |
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 | ![]() |
55V![]() | 6-methyl-5-[3-methyl-3-(3,4,5-trimethoxyphenyl)but- 1-yn-1-yl]pyrimidine-2,4-diamine | A,B | 3FQC | 0.71 | ![]() |
55V![]() | 6-methyl-5-[3-methyl-3-(3,4,5-trimethoxyphenyl)but- 1-yn-1-yl]pyrimidine-2,4-diamine | A | 3FQF | 0.71 | ![]() |
DRP![]() | 2-DEOXYRIBOFURANOSYL-PYRIDINE-5'- MONOPHOSPHATE | A,B | 1JES | 0.71 | ![]() |
I1H![]() | 3-[2-(2,4-DICHLOROPHENYL)ETHOXY]- 4-METHOXY-N-[(1-PYRIDIN-4-YLPIPERIDIN- 4-YL)METHYL]BENZAMIDE | B | 2BMG | 0.72 | ![]() |
3IP![]() | 3-(BENZYLOXY)PYRIDIN-2-AMINE | A | 1W7H | 0.72 | ![]() |
LZK![]() | 6-(2,6-DIMETHOXYPHENYL)PYRIDO[2,3- D]PYRIMIDINE-2,7-DIAMINE | A,B | 2V59 | 0.76 | ![]() |
MT3![]() | 2-benzyl-5-{4-[(6,7-dimethoxyquinolin- 4-yl)oxy]-3-fluorophenyl}-3-methylpyrimidin- 4(3H)-one | A,B | 3EFJ | 0.72 | ![]() |
TRR![]() | 2,4-DIAMINO-5-(3,4,5-TRIMETHOXY- BENZYL)-PYRIMIDIN-1-IUM | A | 1YHO | 0.76 | ![]() |
TRR![]() | 2,4-DIAMINO-5-(3,4,5-TRIMETHOXY- BENZYL)-PYRIMIDIN-1-IUM | A | 1LUD | 0.76 | ![]() |
TRR![]() | 2,4-DIAMINO-5-(3,4,5-TRIMETHOXY- BENZYL)-PYRIMIDIN-1-IUM | A | 2HM9 | 0.76 | ![]() |
887![]() | N-cyclopropyl-6-[(6,7-dimethoxyquinolin- 4-yl)oxy]naphthalene-1-carboxamide | A,B | 3B8R | 0.71 | ![]() |
CO4![]() | 2,4-DIAMINO-5-METHYL-6-[(3,4,5- TRIMETHOXY-N-METHYLANILINO)METHYL]PYRIDO[2,3- D]PYRIMIDINE | A | 1PD8 | 0.78 | ![]() |
CO4![]() | 2,4-DIAMINO-5-METHYL-6-[(3,4,5- TRIMETHOXY-N-METHYLANILINO)METHYL]PYRIDO[2,3- D]PYRIMIDINE | A | 1PD9 | 0.78 | ![]() |
623![]() | 3,3'-[3,5-DIFLUORO-4-METHYL-2,6- PYRIDYLENEBIS(OXY)]-BIS(BENZENECARBOXIMIDAMIDE) | A | 1QB6 | 0.7 | ![]() |
H86![]() | 3-(decyloxy)-5-(3,5-difluorophenyl)- 1-(2,2-diphosphonoethyl)pyridinium | A,B | 2Z78 | 0.71 | ![]() |
CGS![]() | N-HYDROXY-2(R)-[[(4-METHOXYPHENYL)SULFONYL](3- PICOLYL)AMINO]-3-METHYLBUTANAMIDE HYDROCHLORIDE | A,B,C,D | 2W0D | 0.71 | ![]() |
CGS![]() | N-HYDROXY-2(R)-[[(4-METHOXYPHENYL)SULFONYL](3- PICOLYL)AMINO]-3-METHYLBUTANAMIDE HYDROCHLORIDE | A | 3AYK | 0.71 | ![]() |
CGS![]() | N-HYDROXY-2(R)-[[(4-METHOXYPHENYL)SULFONYL](3- PICOLYL)AMINO]-3-METHYLBUTANAMIDE HYDROCHLORIDE | A,B | 1JIZ | 0.71 | ![]() |
CGS![]() | N-HYDROXY-2(R)-[[(4-METHOXYPHENYL)SULFONYL](3- PICOLYL)AMINO]-3-METHYLBUTANAMIDE HYDROCHLORIDE | A | 4AYK | 0.71 | ![]() |
SAV![]() | N~4~-(3-methyl-1H-indazol-6-yl)- N~2~-(3,4,5-trimethoxyphenyl)pyrimidine- 2,4-diamine | A | 3CJF | 0.71 | ![]() |
DTM![]() | 2,4-DIAMINO-6-[N-(3',4',5'-TRIMETHOXYBENZYL)- N-METHYLAMINO]PYRIDO[2,3-D]PYRIMIDINE | A | 1MVS | 0.81 | ![]() |
DTM![]() | 2,4-DIAMINO-6-[N-(3',4',5'-TRIMETHOXYBENZYL)- N-METHYLAMINO]PYRIDO[2,3-D]PYRIMIDINE | A | 1MVT | 0.81 | ![]() |
LI4![]() | 3-(1-NAPHTHYLMETHOXY)PYRIDIN-2- AMINE | A | 1WBW | 0.71 | ![]() |
BER![]() | BERBERINE | A | 3D6Y | 0.8 | ![]() |
BER![]() | BERBERINE | A,B,D,E | 1JUM | 0.8 | ![]() |
BER![]() | BERBERINE | A,B,D,E | 3BTI | 0.8 | ![]() |
BER![]() | BERBERINE | A | 2QVD | 0.8 | ![]() |
POF![]() | (4aS,4bR,10bS,12aS)-12a-methyl- 1,3-dioxo-2-(pyridin-3-ylmethyl)- 1,2,3,4,4a,4b,5,6,10b,11,12,12a- dodecahydronaphtho[2,1-f]isoquinolin- 8-yl sulfamate | A | 3C7P | 0.7 | ![]() |
PRD![]() | N6-(2,5-DIMETHOXY-BENZYL)-N6-METHYL- PYRIDO[2,3-D]PYRIMIDINE-2,4,6-TRIAMINE | A | 1BOZ | 0.72 | ![]() |
LII![]() | (Z)-6-(2-[2,5-DIMETHOXYPHENYL]ETHEN- 1-YL)-2,4-DIAMINO-5-METHYLPYRIDO[2,3- D]PYRIMIDINE | A | 1KMV | 0.71 | ![]() |
AI3![]() | 2,3-DIMETHOXY-12H-[1,3]DIOXOLO[5,6]INDENO[1,2- C]ISOQUINOLIN-6-IUM | A,C,D | 1TL8 | 0.75 | ![]() |
QUN![]() | QUINACRINE | A,B | 1JQE | 0.71 | ![]() |
PU3![]() | 9-BUTYL-8-(3,4,5-TRIMETHOXYBENZYL)- 9H-PURIN-6-AMINE | A | 1UYM | 0.72 | ![]() |
PU3![]() | 9-BUTYL-8-(3,4,5-TRIMETHOXYBENZYL)- 9H-PURIN-6-AMINE | A | 1UY6 | 0.72 | ![]() |
TOP![]() | TRIMETHOPRIM | A | 1DG5 | 0.78 | ![]() |
TOP![]() | TRIMETHOPRIM | A,B,C,D,E,F | 2W9S | 0.78 | ![]() |
TOP![]() | TRIMETHOPRIM | A,B,C,D | 2BFM | 0.78 | ![]() |
TOP![]() | TRIMETHOPRIM | A | 2W9G | 0.78 | ![]() |
TOP![]() | TRIMETHOPRIM | A,B,C,D,E,F, G,H | 3FL9 | 0.78 | ![]() |
TOP![]() | TRIMETHOPRIM | A | 1DYR | 0.78 | ![]() |
TOP![]() | TRIMETHOPRIM | A | 2W9H | 0.78 | ![]() |
253![]() | 10,11-dimethoxy-4-methyldibenzo[c,f]- 2,7-naphthyridine-3,6-diamine | A | 2R7B | 0.76 | ![]() |
001![]() | 1-[2,2-DIFLUORO-2-(3,4,5-TRIMETHOXY- PHENYL)-ACETYL]-PIPERIDINE-2-CARBOXYLIC ACID 4- PHENYL-1-(3-PYRIDIN-3-YL-PROPYL)- BUTYL ESTER | A,B,D | 1J4R | 0.81 | ![]() |
8PC![]() | 2-(2,4-DICHLOROPHENOXY)-5-(PYRIDIN- 2-YLMETHYL)PHENOL | A,B | 2OP1 | 0.75 | ![]() |
8PC![]() | 2-(2,4-DICHLOROPHENOXY)-5-(PYRIDIN- 2-YLMETHYL)PHENOL | A,B,C,D | 3FNE | 0.75 | ![]() |
KIN![]() | 1-[4-(PYRIDIN-4-YLOXY)PHENYL]-3- [3-(TRIFLUOROMETHYL)PHENYL]UREA | A | 2HZN | 0.72 | ![]() |
PD1![]() | 1-TERT-BUTYL-3-[6-(3,5-DIMETHOXY- PHENYL)-2-(4-DIETHYLAMINO-BUTYLAMINO)- PYRIDO[2,3-D]PYRIMIDIN-7-YL]-UREA | A,B | 2FGI | 0.75 | ![]() |
PCH![]() | 3-AMINO-4-CYCLOHEXYL-1-(PYRIDIN- 4-YLOXY)BUTAN-2-OL | I | 1E82 | 0.72 | ![]() |
4EA![]() | (1S)-2-(1H-INDOL-3-YL)-1-[({5-[(E)- 2-PYRIDIN-4-YLVINYL]PYRIDIN-3-YL}OXY)METHYL]ETHYLAMINE | E | 2F7X | 0.73 | ![]() |
HRM![]() | 7-METHOXY-1-METHYL-9H-BETA-CARBOLINE | A | 2Z5X | 0.71 | ![]() |
HRM![]() | 7-METHOXY-1-METHYL-9H-BETA-CARBOLINE | A | 2Z5Y | 0.71 | ![]() |
M98![]() | (S)-3-(2-(3-CYCLOPROPOXY-4-(DIFLUOROMETHOXY)PHENYL)- 2-(5-(1,1,1,3,3,3-HEXAFLUORO-2- HYDROXYPROPAN-2-YL)THIAZOL-2-YL)ETHYL)PYRIDINE 1- OXIDE | A,B,C,D | 2FM0 | 0.7 | ![]() |
G6H![]() | N-{4-methyl-3-[(3-{4-[(3,4,5-trimethoxyphenyl)amino]- 1,3,5-triazin-2-yl}pyridin-2-yl)amino]phenyl}- 3-(trifluoromethyl)benzamide | B | 3G6H | 0.7 | ![]() |
PIX![]() | 4-(3-{[5-(trifluoromethyl)pyridin- 2-yl]oxy}benzyl)piperidine-1-carboxylic acid | A,B | 2WAP | 0.79 | ![]() |
282![]() | 3-methoxypyridine | X | 2RBZ | 0.7 | ![]() |
7IP![]() | 6-[2-(3'-METHOXYBIPHENYL-3-YL)ETHYL]PYRIDIN- 2-AMINE | A | 2OHQ | 0.72 | ![]() |
2EA![]() | (1S)-2-(1H-INDOL-3-YL)-1-{[(5-ISOQUINOLIN- 6-YLPYRIDIN-3-YL)OXY]METHYL}ETHYLAMINE | E | 2F7E | 0.72 | ![]() |
KIM![]() | N~4~-methyl-N~4~-(3-methyl-1H-indazol- 6-yl)-N~2~-(3,4,5-trimethoxyphenyl)pyrimidine- 2,4-diamine | A | 3CJG | 0.71 | ![]() |
RO0![]() | 1-(3,4-DIMETHOXYBENZYL)-6,7-DIMETHOXY- 4-{[4-(2-METHOXYPHENYL)PIPERIDIN- 1-YL]METHYL}ISOQUINOLINE | A | 2FVJ | 0.83 | ![]() |
COQ![]() | 2,4-DIAMINO-6-[N-(3',5'-DIMETHOXYBENZYL)- N-METHYLAMINO]PYRIDO[2,3-D]PYRIMIDINE | A | 1LY4 | 0.77 | ![]() |
1N9![]() | 2,6-DIMETHYLPHENYL 2-(3,5-DIMETHOXY- 4-(3-(4-METHYLPIPERAZIN-1-YL)PROPOXY)PHENYLAMINO)PYRIMIDIN- 4-YL(2,4-DIMETHOXYPHENYL)CARBAMATE | A | 2OFU | 0.71 | ![]() |
M99![]() | (R)-3-(2-(3-CYCLOPROPOXY-4-(DIFLUOROMETHOXY)PHENYL)- 2-(5-(1,1,1,3,3,3-HEXAFLUORO-2- HYDROXYPROPAN-2-YL)THIAZOL-2-YL)ETHYL)PYRIDINE 1- OXIDE | A,B,C,D | 2FM5 | 0.7 | ![]() |
7PC![]() | 2-[4-(AMINOMETHYL)-2-CHLOROPHENOXY]- 5-PYRIDIN-2-YLPHENOL | A,B | 2OP0 | 0.76 | ![]() |
BI5![]() | 4-PHENOXY-N-(PYRIDIN-2-YLMETHYL)BENZAMIDE | A | 1ZYJ | 0.71 | ![]() |
SDZ![]() | 1-[2-HYDROXY-3-(4-CYCLOHEXYL-PHENOXY)- PROPYL]-4-(2-PYRIDYL)-PIPERAZINE | 1 | 1HRV | 0.74 | ![]() |
9HP![]() | 9-(4-HYDROXYPHENYL)-2,7-PHENANTHROLINE | A | 1PMU | 0.71 | ![]() |
D1G![]() | N,N-DIMETHYL(5-(PYRIDIN-3-YL)FURAN- 2-YL)METHANAMINE | A,B,C,D | 2FDU | 0.7 | ![]() |
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 | 0.7 | ![]() |
DTQ![]() | 4-[3-HYDROXYANILINO]-6,7-DIMETHOXYQUINAZOLINE | A | 1DI8 | 0.7 | ![]() |
7PY![]() | 7-PYRIDIN-2-YL-N-(3,4,5-TRIMETHOXYPHENYL)- 7H-PYRROLO[2,3-D]PYRIMIDIN-2-AMINE | A,B | 2ETM | 0.75 | ![]() |
PZF![]() | (3R,4S)-1-[6-(6-METHOXYPYRIDIN- 3-YL)PYRIMIDIN-4-YL]-4-(2,4,5-TRIFLUOROPHENYL)PYRROLIDIN- 3-AMINE | A,B | 2QJR | 0.72 | ![]() |
PIL![]() | 3-(CYCLOPENTYLOXY)-N-(3,5-DICHLOROPYRIDIN- 4-YL)-4-METHOXYBENZAMIDE | A,B | 1XM4 | 0.7 | ![]() |
PIL![]() | 3-(CYCLOPENTYLOXY)-N-(3,5-DICHLOROPYRIDIN- 4-YL)-4-METHOXYBENZAMIDE | A,B | 1XON | 0.7 | ![]() |
ML1![]() | N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide | A,B | 2QX4 | 0.72 | ![]() |
ML1![]() | N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide | A,B | 2QX6 | 0.72 | ![]() |
ML1![]() | N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide | A,B | 2QWX | 0.72 | ![]() |