Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00642592
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 |
RNP![]() | (1E,2R)-1-(ISOPROPYLIMINO)-3-(1- NAPHTHYLOXY)PROPAN-2-OL | X | 1H46 | 0.72 | ![]() |
TXF![]() | (Z)-4-(1-{4-[2-(DIMETHYLAMINO)ETHOXY]PHENYL}- 5-HYDROXY-2-PHENYLPENT-1-ENYL)PHENOL | A,B,C,D,E | 2EWP | 0.81 | ![]() |
AIJ![]() | (2S,3R)-3-(4-HYDROXYPHENYL)-2-(4- {[(2S)-2-PYRROLIDIN-1-YLPROPYL]OXY}PHENYL)- 2,3-DIHYDRO-1,4-BENZOXATHIIN-6- OL | A | 1XP9 | 0.71 | ![]() |
LY2![]() | 2-MORPHOLIN-4-YL-7-PHENYL-4H-CHROMEN- 4-ONE | A | 1YI3 | 0.75 | ![]() |
LY2![]() | 2-MORPHOLIN-4-YL-7-PHENYL-4H-CHROMEN- 4-ONE | A | 1E7V | 0.75 | ![]() |
CM3![]() | (2R,3R,4S)-5-FLUORO-3-(4-HYDROXYPHENYL)- 4-METHYL-2-[4-(2-PIPERIDIN-1-YLETHOXY)PHENYL]CHROMAN- 6-OL | A | 1YIN | 0.82 | ![]() |
XX7![]() | 2-{[(2S)-2-HYDROXY-3-(9-PHENANTHRYLOXY)PROPYL]AMINO}PROPANE- 1,3-DIOL | A | 2V3R | 0.74 | ![]() |
TAX![]() | (Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)- PHENOXY]-N,N-DIMETHYLETHANAMINIUM | A | 1FJ5 | 0.81 | ![]() |
E4D![]() | (2S,3R)-2-(4-(2-(PIPERIDIN-1-YL)ETHOXY)PHENYL)- 2,3-DIHYDRO-3-(4-HYDROXYPHENYL)BENZO[B][1,4]OXATHIIN- 6-OL | A | 1SJ0 | 0.74 | ![]() |
PTI![]() | 2-PHENYL-1-[4-(2-PIPERIDIN-1-YL- ETHOXY)-PHENYL]-1,2,3,4-TETRAHYDRO- ISOQUINOLIN-6-OL | A | 1UOM | 0.77 | ![]() |
2NI![]() | N-{2-[(4'-CYANO-1,1'-BIPHENYL-4- YL)OXY]ETHYL}-N'-HYDROXY-N-METHYLUREA | A | 1ZP5 | 0.73 | ![]() |
XX6![]() | 2-{[(2R)-2-HYDROXY-3-(9-PHENANTHRYLOXY)PROPYL]AMINO}PROPANE- 1,3-DIOL | A | 2V3I | 0.74 | ![]() |
11N![]() | 1-[1'-(3-phenylacryloyl)spiro[1- benzofuran-3,4'-piperidin]-5-yl]methanamine | A,B,C,D | 2ZEC | 0.75 | ![]() |
R23![]() | METHYL-[4-(4-PIPERIDINE-1-YLMETHYL- PHENYL)-CYCLOHEXYL]-CARBAMINIC ACID- (4-CHLOROPHENYL)-ESTER | A,B,C | 1O79 | 0.7 | ![]() |
MOI![]() | (7R,7AS,12BS)-3-METHYL-2,3,4,4A,7,7A- HEXAHYDRO-1H-4,12-METHANO[1]BENZOFURO[3,2- E]ISOQUINOLINE-7,9-DIOL | H,L | 1Q0Y | 0.72 | ![]() |
AIT![]() | (2S,3R)-3-(4-HYDROXYPHENYL)-2-(4- {[(2R)-2-PYRROLIDIN-1-YLPROPYL]OXY}PHENYL)- 2,3-DIHYDRO-1,4-BENZOXATHIIN-6- OL | A | 1XPC | 0.71 | ![]() |
CMZ![]() | (2S)-1-(2,5-dimethylphenoxy)-3- morpholin-4-ylpropan-2-ol | A | 2OF0 | 0.78 | ![]() |
P14![]() | N-[2-(2-{[(4-{[AMINO(IMINO)METHYL]AMINO}BUTYL)AMINO]METHYL}- 4-METHOXYPHENOXY)ETHYL]GUANIDINE | B | 1UUD | 0.7 | ![]() |
REN![]() | (S)-reticuline | A | 3FWA | 0.74 | ![]() |
REN![]() | (S)-reticuline | A | 3D2D | 0.74 | ![]() |
HC6![]() | (2S,2'S)-2,2'-biphenyl-4,4'-diylbis(2- hydroxy-4,4-dimethylmorpholin-4- ium) | A,B | 3F2R | 0.73 | ![]() |
HC6![]() | (2S,2'S)-2,2'-biphenyl-4,4'-diylbis(2- hydroxy-4,4-dimethylmorpholin-4- ium) | A,B | 3G15 | 0.73 | ![]() |
BS1![]() | (3-EXO)-3-(10,11-DIHYDRO-5H-DIBENZO[A,D][7]ANNULEN- 5-YLOXY)-8,8-DIMETHYL-8-AZONIABICYCLO[3.2.1]OCTANE | A,F | 2W8F | 0.71 | ![]() |
SNP![]() | 1-(ISOPROPYLAMINO)-3-(1-NAPHTHYLOXY)- 2-PROPANOL | A | 1DY4 | 0.76 | ![]() |
TOL![]() | TOLRESTAT | A | 2PDL | 0.72 | ![]() |
TOL![]() | TOLRESTAT | A | 2FZD | 0.72 | ![]() |
TOL![]() | TOLRESTAT | A | 2FZB | 0.72 | ![]() |
TOL![]() | TOLRESTAT | A | 1AH3 | 0.72 | ![]() |
TOL![]() | TOLRESTAT | X | 1ZUA | 0.72 | ![]() |
TOL![]() | TOLRESTAT | A | 1AE4 | 0.72 | ![]() |
DPD![]() | A,B | 1QIW | 0.76 | ![]() | |
DPD![]() | A | 1QIV | 0.76 | ![]() | |
SFX![]() | (3S)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan- 1-amine | A | 3GWW | 0.74 | ![]() |
RFX![]() | (3R)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan- 1-amine | A | 3GWV | 0.74 | ![]() |
L4G![]() | 6-(4-METHYLSULFONYL-PHENYL)-5-[4- (2-PIPERIDIN-1-YLETHOXY)PHENOXY]NAPHTHALEN- 2-OL | A | 2AYR | 0.75 | ![]() |
505![]() | (2R)-1-(2,6-dimethylphenoxy)propan- 2-amine | A | 2VIN | 0.71 | ![]() |
OHT![]() | 4-HYDROXYTAMOXIFEN | A | 3ERT | 0.81 | ![]() |
OHT![]() | 4-HYDROXYTAMOXIFEN | A,B | 1S9Q | 0.81 | ![]() |
OHT![]() | 4-HYDROXYTAMOXIFEN | A,B | 1VJB | 0.81 | ![]() |
OHT![]() | 4-HYDROXYTAMOXIFEN | A,B,C,P,R | 2JF9 | 0.81 | ![]() |
OHT![]() | 4-HYDROXYTAMOXIFEN | A,B,C,D,E,F | 2GPV | 0.81 | ![]() |
OHT![]() | 4-HYDROXYTAMOXIFEN | A | 2GPU | 0.81 | ![]() |
OHT![]() | 4-HYDROXYTAMOXIFEN | A | 2P7Z | 0.81 | ![]() |
OHT![]() | 4-HYDROXYTAMOXIFEN | A,B | 2BJ4 | 0.81 | ![]() |
OHT![]() | 4-HYDROXYTAMOXIFEN | A,B | 2FSZ | 0.81 | ![]() |
CM4![]() | (2R,3R,4S)-3-(4-HYDROXYPHENYL)- 4-METHYL-2-[4-(2-PYRROLIDIN-1-YLETHOXY)PHENYL]CHROMAN- 6-OL | A | 1YIM | 0.82 | ![]() |
NMB![]() | 2,7-DIBENZYL-1,1-DIOXO-3,6-BIS- PHENOXYMETHYL-[1,2,7]THIADIAZEPANE- 4,5-DIOL | A | 1AJV | 0.71 | ![]() |
SLX![]() | (13aS)-3,10-dimethoxy-5,8,13,13a- tetrahydro-6H-isoquino[3,2-a]isoquinoline- 2,9-diol | A | 3FW9 | 0.74 | ![]() |
P12![]() | 4-[AMINO(IMINO)METHYL]-1-[2-(3- AMMONIOPROPOXY)-5-METHOXYBENZYL]PIPERAZIN- 1-IUM | B | 1UUI | 0.7 | ![]() |
AIH![]() | (2S,3R)-2-(4-{2-[(3R,4R)-3,4-DIMETHYLPYRROLIDIN- 1-YL]ETHOXY}PHENYL)-3-(4-HYDROXYPHENYL)- 2,3-DIHYDRO-1,4-BENZOXATHIIN-6- OL | A | 1XP1 | 0.73 | ![]() |
2PM![]() | N-[2-(BENZHYDRYLOXY)ETHYL]-N,N- DIMETHYLAMINE | A,B | 2AOT | 0.71 | ![]() |
BX3![]() | (+)-2-[4-[(-1-ACETIMIDOYL-4-PIPERIDINYL)OXY]- 3-(7-AMIDINO-2-NAPHTHYL)PROPIONIC ACID | A | 1MTV | 0.7 | ![]() |
BX3![]() | (+)-2-[4-[(-1-ACETIMIDOYL-4-PIPERIDINYL)OXY]- 3-(7-AMIDINO-2-NAPHTHYL)PROPIONIC ACID | A | 1MTU | 0.7 | ![]() |
BX3![]() | (+)-2-[4-[(-1-ACETIMIDOYL-4-PIPERIDINYL)OXY]- 3-(7-AMIDINO-2-NAPHTHYL)PROPIONIC ACID | A | 1MTS | 0.7 | ![]() |
ROS![]() | N,N'-TETRAMETHYL-ROSAMINE | A | 1F1T | 0.7 | ![]() |
AHF![]() | 2-[4-(HYDROXY-METHOXY-METHYL)-BENZYL]- 7-(4-HYDROXYMETHYL-BENZYL)-1,1- DIOXO-3,6-BIS-PHENOXYMETHYL-1LAMBDA6- [1,2,7]THIADIAZEPANE-4,5-DIOL | B | 1G35 | 0.7 | ![]() |
C3D![]() | (5R,6S)-6-PHENYL-5-[4-(2-PYRROLIDIN- 1-YLETHOXY)PHENYL]-5,6,7,8-TETRAHYDRONAPHTHALEN- 2-OL | A | 2OUZ | 0.84 | ![]() |
CTX![]() | (Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)- PHENOXY]-N,N-DIMETHYLETHANAMINE | A,B,C | 1YA4 | 0.84 | ![]() |
AB1![]() | N-{1-BENZYL-4-[2-(2,6-DIMETHYL- PHENOXY)-ACETYLAMINO]-3-HYDROXY- 5-PHENYL-PENTYL}-3-METHYL-2-(2- OXO-TETRAHYDRO-PYRIMIDIN-1-YL)- BUTYRAMIDE | A,B | 2Q5K | 0.7 | ![]() |
AB1![]() | N-{1-BENZYL-4-[2-(2,6-DIMETHYL- PHENOXY)-ACETYLAMINO]-3-HYDROXY- 5-PHENYL-PENTYL}-3-METHYL-2-(2- OXO-TETRAHYDRO-PYRIMIDIN-1-YL)- BUTYRAMIDE | A,B | 2QHC | 0.7 | ![]() |
AB1![]() | N-{1-BENZYL-4-[2-(2,6-DIMETHYL- PHENOXY)-ACETYLAMINO]-3-HYDROXY- 5-PHENYL-PENTYL}-3-METHYL-2-(2- OXO-TETRAHYDRO-PYRIMIDIN-1-YL)- BUTYRAMIDE | A,B | 2RKF | 0.7 | ![]() |
AB1![]() | N-{1-BENZYL-4-[2-(2,6-DIMETHYL- PHENOXY)-ACETYLAMINO]-3-HYDROXY- 5-PHENYL-PENTYL}-3-METHYL-2-(2- OXO-TETRAHYDRO-PYRIMIDIN-1-YL)- BUTYRAMIDE | B | 1MUI | 0.7 | ![]() |
AB1![]() | N-{1-BENZYL-4-[2-(2,6-DIMETHYL- PHENOXY)-ACETYLAMINO]-3-HYDROXY- 5-PHENYL-PENTYL}-3-METHYL-2-(2- OXO-TETRAHYDRO-PYRIMIDIN-1-YL)- BUTYRAMIDE | B | 1RV7 | 0.7 | ![]() |
AB1![]() | N-{1-BENZYL-4-[2-(2,6-DIMETHYL- PHENOXY)-ACETYLAMINO]-3-HYDROXY- 5-PHENYL-PENTYL}-3-METHYL-2-(2- OXO-TETRAHYDRO-PYRIMIDIN-1-YL)- BUTYRAMIDE | A,B | 2RKG | 0.7 | ![]() |
AB1![]() | N-{1-BENZYL-4-[2-(2,6-DIMETHYL- PHENOXY)-ACETYLAMINO]-3-HYDROXY- 5-PHENYL-PENTYL}-3-METHYL-2-(2- OXO-TETRAHYDRO-PYRIMIDIN-1-YL)- BUTYRAMIDE | A,B | 2O4S | 0.7 | ![]() |
AB1![]() | N-{1-BENZYL-4-[2-(2,6-DIMETHYL- PHENOXY)-ACETYLAMINO]-3-HYDROXY- 5-PHENYL-PENTYL}-3-METHYL-2-(2- OXO-TETRAHYDRO-PYRIMIDIN-1-YL)- BUTYRAMIDE | A,B | 2Z54 | 0.7 | ![]() |
DCH![]() | 3-(7-DIAMINOMETHYL-NAPHTHALEN-2- YL)-PROPIONIC ACID ETHYL ESTER | H | 1UVU | 0.74 | ![]() |
AIU![]() | (2S,3R)-2-(4-{2-[(3S,4S)-3,4-DIMETHYLPYRROLIDIN- 1-YL]ETHOXY}PHENYL)-3-(4-HYDROXYPHENYL)- 2,3-DIHYDRO-1,4-BENZOXATHIIN-6- OL | A | 1XP6 | 0.73 | ![]() |