Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02569198
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 |
RFX | (3R)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan- 1-amine | A | 3GWV | 0.7 |  |
AAY | 8-[2-((2S)-4-HYDROXY-1-{[5-(HYDROXYMETHYL)- 6-METHOXY-2-NAPHTHYL]METHYL}-6- OXOPIPERIDIN-2-YL)ETHYL]-3,7-DIMETHYL- 1,2,3,7,8,8A-HEXAHYDRONAPHTHALEN- 1-YL 2-METHYLBUTANOATE | A,B | 1XDD | 0.7 | |
5PP | 5-PENTYL-2-PHENOXYPHENOL | A,B,C,D,E,F | 2B36 | 0.76 | |
EGT | 2-(3,4,5-TRIHYDROXY-PHENYL)-CHROMAN- 3,5,7-TRIOL | A | 1JNQ | 0.76 | |
369 | 5-(4-hydroxyphenoxy)-6-(3-hydroxyphenyl)- 7-methylnaphthalen-2-ol | A,B | 3DT3 | 0.72 | |
WST | (3AS,4R,9BR)-4-(4-HYDROXYPHENYL)- 1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN- 9-OL | A,B | 2POG | 0.73 | |
E20 | 1-BENZYL-4-[(5,6-DIMETHOXY-1-INDANON- 2-YL)METHYL]PIPERIDINE | A | 1EVE | 0.74 | |
442 | 2-[3,5-DIBROMO-4-(4-HYDROXY-3-{HYDROXY[(2- PHENYLETHYL)AMINO]METHYL}PHENOXY)PHENYL]ETHANE- 1,1-DIOL | A | 1R6G | 0.71 | |
8PS | 5-OCTYL-2-PHENOXYPHENOL | A,B,C,D,E,F | 2B37 | 0.76 | |
965 | (3-{3-[[2-CHLORO-3-(TRIFLUOROMETHYL)BENZYL](2,2- DIPHENYLETHYL)AMINO]PROPOXY}PHENYL)ACETIC ACID | A,B,D | 1PQ6 | 0.71 | |
SFX | (3S)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan- 1-amine | A | 3GWW | 0.7 | |
TXF | (Z)-4-(1-{4-[2-(DIMETHYLAMINO)ETHOXY]PHENYL}- 5-HYDROXY-2-PHENYLPENT-1-ENYL)PHENOL | A,B,C,D,E | 2EWP | 0.76 | |
JJ3 | (3AS,4R,9BR)-4-(4-HYDROXYPHENYL)- 6-(METHOXYMETHYL)-1,2,3,3A,4,9B- HEXAHYDROCYCLOPENTA[C]CHROMEN-8- OL | A,B | 2JJ3 | 0.75 | |
| JJ3 | (3AS,4R,9BR)-4-(4-HYDROXYPHENYL)- 6-(METHOXYMETHYL)-1,2,3,3A,4,9B- HEXAHYDROCYCLOPENTA[C]CHROMEN-8- OL | A,B | 2QE4 | 0.75 | |
5RM | (5R)-5-(4-methoxy-3-propoxyphenyl)- 5-methyl-1,3-oxazolidin-2-one | A,B | 1XM6 | 0.7 | |
C3D | (5R,6S)-6-PHENYL-5-[4-(2-PYRROLIDIN- 1-YLETHOXY)PHENYL]-5,6,7,8-TETRAHYDRONAPHTHALEN- 2-OL | A | 2OUZ | 0.76 | |
CMZ | (2S)-1-(2,5-dimethylphenoxy)-3- morpholin-4-ylpropan-2-ol | A | 2OF0 | 0.74 | |
TMS | N-PROPYL-4-[(E)-2-(3,4,5-TRIMETHOXY- PHENYL)-VINYL]-BENZAMIDE | A,B | 1X6W | 0.71 | |
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 | 0.77 | |
CM3 | (2R,3R,4S)-5-FLUORO-3-(4-HYDROXYPHENYL)- 4-METHYL-2-[4-(2-PIPERIDIN-1-YLETHOXY)PHENYL]CHROMAN- 6-OL | A | 1YIN | 0.81 | |
DPD | A,B | 1QIW | 0.79 | | |
| DPD | A | 1QIV | 0.79 | | |
I0G | (3AS,4R,9BR)-4-(4-HYDROXYPHENYL)- 1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN- 8-OL | A,B | 2I0G | 0.77 | |
| I0G | (3AS,4R,9BR)-4-(4-HYDROXYPHENYL)- 1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN- 8-OL | A,B,C,D | 2I0J | 0.77 | |
KOM | 7,8-dihydroxy-4-phenyl-2H-chromen- 2-one | A | 2ZVJ | 0.71 | |
HMK | (6AR,12AR)-6H-[1,3]DIOXOLO[5,6][1]BENZOFURO[3,2- C]CHROMENE-3,6A(12AH)-DIOL | A | 1ZGA | 0.72 | |
SAF | 3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOL | A | 1GQR | 0.71 | |
| SAF | 3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOL | A | 1GQS | 0.71 | |
AP1 | {3-[3-(3,4-DIMETHOXY-PHENYL)-1- (1-{1-[2-(3,4,5-TRIMETHOXY-PHENYL)- BUTYRYL]-PIPERIDIN-2YL}-VINYLOXY)- PROPYL]-PHENOXY}-ACETIC ACID | A,B | 1BL4 | 0.7 | |
P1S | (6AR,12AR)-3-(HYDROXYMETHYL)-6H- [1,3]DIOXOLO[5,6][1]BENZOFURO[3,2- C]CHROMEN-6A(12AH)-OL | A | 1ZGJ | 0.7 | |
XX7 | 2-{[(2S)-2-HYDROXY-3-(9-PHENANTHRYLOXY)PROPYL]AMINO}PROPANE- 1,3-DIOL | A | 2V3R | 0.72 | |
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 | 0.72 | |
PTI | 2-PHENYL-1-[4-(2-PIPERIDIN-1-YL- ETHOXY)-PHENYL]-1,2,3,4-TETRAHYDRO- ISOQUINOLIN-6-OL | A | 1UOM | 0.74 | |
REN | (S)-reticuline | A | 3FWA | 0.85 | |
| REN | (S)-reticuline | A | 3D2D | 0.85 | |
XX6 | 2-{[(2R)-2-HYDROXY-3-(9-PHENANTHRYLOXY)PROPYL]AMINO}PROPANE- 1,3-DIOL | A | 2V3I | 0.72 | |
GVB | (3R,4S)-1-(3,4-DIMETHOXYPHENYL)- 3-(3-METHYLPHENYL)PIPERIDIN-4-AMINE | A,B | 2JID | 0.7 | |
OHT | 4-HYDROXYTAMOXIFEN | A | 3ERT | 0.76 | |
| OHT | 4-HYDROXYTAMOXIFEN | A,B | 1S9Q | 0.76 | |
| OHT | 4-HYDROXYTAMOXIFEN | A,B | 1VJB | 0.76 | |
| OHT | 4-HYDROXYTAMOXIFEN | A,B,C,P,R | 2JF9 | 0.76 | |
| OHT | 4-HYDROXYTAMOXIFEN | A,B,C,D,E,F | 2GPV | 0.76 | |
| OHT | 4-HYDROXYTAMOXIFEN | A | 2GPU | 0.76 | |
| OHT | 4-HYDROXYTAMOXIFEN | A | 2P7Z | 0.76 | |
| OHT | 4-HYDROXYTAMOXIFEN | A,B | 2BJ4 | 0.76 | |
| OHT | 4-HYDROXYTAMOXIFEN | A,B | 2FSZ | 0.76 | |
HV7 | 1-METHYLAMINE-2-HYDROXY-4-METHOXY- BENZENE | C | 1A8G | 0.73 | |
P12 | 4-[AMINO(IMINO)METHYL]-1-[2-(3- AMMONIOPROPOXY)-5-METHOXYBENZYL]PIPERAZIN- 1-IUM | B | 1UUI | 0.72 | |
SNP | 1-(ISOPROPYLAMINO)-3-(1-NAPHTHYLOXY)- 2-PROPANOL | A | 1DY4 | 0.73 | |
3QC | (4R)-4-(3-HYDROXYPHENYL)-N,N,7,8- TETRAMETHYL-3,4-DIHYDROISOQUINOLINE- 2(1H)-CARBOXAMIDE | A,B | 2FME | 0.72 | |
3AS | (3aS,4R,9bR)-2,2-difluoro-4-(4- hydroxyphenyl)-6-(methoxymethyl)- 1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen- 8-ol | A,B | 2QTU | 0.73 | |
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 | 0.72 | |
CTX | (Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)- PHENOXY]-N,N-DIMETHYLETHANAMINE | A,B,C | 1YA4 | 0.72 | |
Y12 | 4-{(1E)-3-OXO-3-[(2-PHENYLETHYL)AMINO]PROP- 1-EN-1-YL}-1,2-PHENYLENE DIACETATE | A | 2EW5 | 0.72 | |
DC8 | (3AS,4R,9BR)-2,2-DIFLUORO-4-(4- HYDROXYPHENYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN- 8-OL | A,B | 2Q70 | 0.74 | |
| DC8 | (3AS,4R,9BR)-2,2-DIFLUORO-4-(4- HYDROXYPHENYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN- 8-OL | A,B | 2Z4B | 0.74 | |
NMB | 2,7-DIBENZYL-1,1-DIOXO-3,6-BIS- PHENOXYMETHYL-[1,2,7]THIADIAZEPANE- 4,5-DIOL | A | 1AJV | 0.71 | |
YR3 | (2S)-3-{4-[1-ethyl-1-(4-{[(2R)- 2-hydroxy-3,3-dimethylbutyl]oxy}- 3-methylphenyl)propyl]-2-methylphenoxy}propane- 1,2-diol | A | 2ZFX | 0.7 | |
SLX | (13aS)-3,10-dimethoxy-5,8,13,13a- tetrahydro-6H-isoquino[3,2-a]isoquinoline- 2,9-diol | A | 3FW9 | 0.84 | |
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 | 0.72 | |
L4G | 6-(4-METHYLSULFONYL-PHENYL)-5-[4- (2-PIPERIDIN-1-YLETHOXY)PHENOXY]NAPHTHALEN- 2-OL | A | 2AYR | 0.71 | |
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 | 0.72 | |
A88 | (5R,6R)-2,4-BIS-(4-HYDROXY-3-METHOXYBENZYL)- 1,5-DIBENZYL-3-OXO-6-HYDROXY-1,2,4- TRIAZACYCLOHEPTANE | A | 1PRO | 0.72 | |
NLX | (5A,17R)-4,5-EPOXY-3,14-DIHYDROXY- 17-METHYL-6-OXO-17-(2-PROPENYL)- MORPHINANIUM | A,B,C,D,E,F, G,H,I,J,K,L | 1MX9 | 0.71 | |
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 | |
TOL | TOLRESTAT | A | 2PDL | 0.71 | |
| TOL | TOLRESTAT | A | 2FZD | 0.71 | |
| TOL | TOLRESTAT | A | 2FZB | 0.71 | |
| TOL | TOLRESTAT | A | 1AH3 | 0.71 | |
| TOL | TOLRESTAT | X | 1ZUA | 0.71 | |
| TOL | TOLRESTAT | A | 1AE4 | 0.71 | |
AB8 | (1S,3R,8AS)-8-(2-{(4S,6S)-3-(4- HYDROXY-3-METHOXYBENZYL)-4-[2-(METHYLAMINO)- 2-OXOETHYL]-2-OXO-1,3-OXAZINAN- 6-YL}ETHYL)-3,7-DIMETHYL-1,2,3,7,8,8A- HEXAHYDRONAPHTHALEN-1-YL (2R)-2- METHYLBUTANOATE | A,B | 1XDG | 0.71 | |
GNT | (-)-GALANTHAMINE | A | 1DX6 | 0.8 | |
| GNT | (-)-GALANTHAMINE | A | 1QTI | 0.8 | |
| GNT | (-)-GALANTHAMINE | A,B,C,D,E | 2PH9 | 0.8 | |
| GNT | (-)-GALANTHAMINE | A,B | 1W76 | 0.8 | |
| GNT | (-)-GALANTHAMINE | A | 1W6R | 0.8 | |
CM4 | (2R,3R,4S)-3-(4-HYDROXYPHENYL)- 4-METHYL-2-[4-(2-PYRROLIDIN-1-YLETHOXY)PHENYL]CHROMAN- 6-OL | A | 1YIM | 0.81 | |
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 | 0.72 | |