Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00735651
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 |
OHT | 4-HYDROXYTAMOXIFEN | A | 3ERT | 0.78 |  |
| OHT | 4-HYDROXYTAMOXIFEN | A,B | 1S9Q | 0.78 | |
| OHT | 4-HYDROXYTAMOXIFEN | A,B | 1VJB | 0.78 | |
| OHT | 4-HYDROXYTAMOXIFEN | A,B,C,P,R | 2JF9 | 0.78 | |
| OHT | 4-HYDROXYTAMOXIFEN | A,B,C,D,E,F | 2GPV | 0.78 | |
| OHT | 4-HYDROXYTAMOXIFEN | A | 2GPU | 0.78 | |
| OHT | 4-HYDROXYTAMOXIFEN | A | 2P7Z | 0.78 | |
| OHT | 4-HYDROXYTAMOXIFEN | A,B | 2BJ4 | 0.78 | |
| OHT | 4-HYDROXYTAMOXIFEN | A,B | 2FSZ | 0.78 | |
RFX | (3R)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan- 1-amine | A | 3GWV | 0.78 | |
369 | 5-(4-hydroxyphenoxy)-6-(3-hydroxyphenyl)- 7-methylnaphthalen-2-ol | A,B | 3DT3 | 0.72 | |
NOA | NAPHTHYLOXYACETIC ACID | A,B,I | 1HIV | 0.76 | |
| NOA | NAPHTHYLOXYACETIC ACID | I | 1IVP | 0.76 | |
TOL | TOLRESTAT | A | 2PDL | 0.73 | |
| TOL | TOLRESTAT | A | 2FZD | 0.73 | |
| TOL | TOLRESTAT | A | 2FZB | 0.73 | |
| TOL | TOLRESTAT | A | 1AH3 | 0.73 | |
| TOL | TOLRESTAT | X | 1ZUA | 0.73 | |
| TOL | TOLRESTAT | A | 1AE4 | 0.73 | |
11N | 1-[1'-(3-phenylacryloyl)spiro[1- benzofuran-3,4'-piperidin]-5-yl]methanamine | A,B,C,D | 2ZEC | 0.74 | |
TRT | FRAGMENT OF TRITON X-100 | A,E | 2I0U | 0.72 | |
| TRT | FRAGMENT OF TRITON X-100 | A,B | 1OIZ | 0.72 | |
SFX | (3S)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan- 1-amine | A | 3GWW | 0.78 | |
NBF | [(2-ETHOXY-1-NAPHTHOYL)AMINO]METHYLBORONIC ACID | A | 1NY0 | 0.71 | |
| NBF | [(2-ETHOXY-1-NAPHTHOYL)AMINO]METHYLBORONIC ACID | A,B | 1YMS | 0.71 | |
505 | (2R)-1-(2,6-dimethylphenoxy)propan- 2-amine | A | 2VIN | 0.72 | |
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 | 0.71 | |
REN | (S)-reticuline | A | 3FWA | 0.7 | |
| REN | (S)-reticuline | A | 3D2D | 0.7 | |
P12 | 4-[AMINO(IMINO)METHYL]-1-[2-(3- AMMONIOPROPOXY)-5-METHOXYBENZYL]PIPERAZIN- 1-IUM | B | 1UUI | 0.71 | |
CTX | (Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)- PHENOXY]-N,N-DIMETHYLETHANAMINE | A,B,C | 1YA4 | 0.81 | |
SNP | 1-(ISOPROPYLAMINO)-3-(1-NAPHTHYLOXY)- 2-PROPANOL | A | 1DY4 | 0.81 | |
P14 | N-[2-(2-{[(4-{[AMINO(IMINO)METHYL]AMINO}BUTYL)AMINO]METHYL}- 4-METHOXYPHENOXY)ETHYL]GUANIDINE | B | 1UUD | 0.7 | |
I0G | (3AS,4R,9BR)-4-(4-HYDROXYPHENYL)- 1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN- 8-OL | A,B | 2I0G | 0.72 | |
| I0G | (3AS,4R,9BR)-4-(4-HYDROXYPHENYL)- 1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN- 8-OL | A,B,C,D | 2I0J | 0.72 | |
TF5 | 2-[(2',3',4'-TRIFLUOROBIPHENYL- 2-YL)OXY]ETHANOL | A,B | 2OP3 | 0.72 | |
4TN | (2E)-3-[3-(3-ETHOXY-5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRONAPHTHALEN-2- YL)-4-HYDROXYPHENYL]ACRYLIC ACID | A | 2P1U | 0.7 | |
G24 | [4-(3-BENZYL-4-HYDROXYBENZYL)-3,5- DIMETHYLPHENOXY]ACETIC ACID | A | 1Q4X | 0.7 | |
2NI | N-{2-[(4'-CYANO-1,1'-BIPHENYL-4- YL)OXY]ETHYL}-N'-HYDROXY-N-METHYLUREA | A | 1ZP5 | 0.72 | |
BT2 | 3-[4-(2-PYRROLIDIN-1-YL-ETHOXY)- BENZYL]-2-4-(2-PYRROLIDIN-1-YL- ETHOXY)-PHENYL] -BENZO[B]THIOPHENE | B,H | 1D3Q | 0.71 | |
ZHH | 2-(4-METHOXYPHENYL)ETHANAMINE | D,H | 2HKR | 0.71 | |
CMZ | (2S)-1-(2,5-dimethylphenoxy)-3- morpholin-4-ylpropan-2-ol | A | 2OF0 | 0.77 | |
1NP | 1-NAPHTHOL | X | 2ZVQ | 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 | 0.7 | |
CM3 | (2R,3R,4S)-5-FLUORO-3-(4-HYDROXYPHENYL)- 4-METHYL-2-[4-(2-PIPERIDIN-1-YLETHOXY)PHENYL]CHROMAN- 6-OL | A | 1YIN | 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 | 0.73 | |
TXF | (Z)-4-(1-{4-[2-(DIMETHYLAMINO)ETHOXY]PHENYL}- 5-HYDROXY-2-PHENYLPENT-1-ENYL)PHENOL | A,B,C,D,E | 2EWP | 0.78 | |
RNP | (1E,2R)-1-(ISOPROPYLIMINO)-3-(1- NAPHTHYLOXY)PROPAN-2-OL | X | 1H46 | 0.79 | |
C3D | (5R,6S)-6-PHENYL-5-[4-(2-PYRROLIDIN- 1-YLETHOXY)PHENYL]-5,6,7,8-TETRAHYDRONAPHTHALEN- 2-OL | A | 2OUZ | 0.86 | |
TAX | (Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)- PHENOXY]-N,N-DIMETHYLETHANAMINIUM | A | 1FJ5 | 0.78 | |
GNT | (-)-GALANTHAMINE | A | 1DX6 | 0.71 | |
| GNT | (-)-GALANTHAMINE | A | 1QTI | 0.71 | |
| GNT | (-)-GALANTHAMINE | A,B,C,D,E | 2PH9 | 0.71 | |
| GNT | (-)-GALANTHAMINE | A,B | 1W76 | 0.71 | |
| GNT | (-)-GALANTHAMINE | A | 1W6R | 0.71 | |
CM4 | (2R,3R,4S)-3-(4-HYDROXYPHENYL)- 4-METHYL-2-[4-(2-PYRROLIDIN-1-YLETHOXY)PHENYL]CHROMAN- 6-OL | A | 1YIM | 0.79 | |
4SR | (4S)-4-[3-(CYCLOPENTYLOXY)-4-METHOXYPHENYL]PYRROLIDIN- 2-ONE | A,B | 1XN0 | 0.7 | |
XX6 | 2-{[(2R)-2-HYDROXY-3-(9-PHENANTHRYLOXY)PROPYL]AMINO}PROPANE- 1,3-DIOL | A | 2V3I | 0.76 | |
2PM | N-[2-(BENZHYDRYLOXY)ETHYL]-N,N- DIMETHYLAMINE | A,B | 2AOT | 0.71 | |
XX7 | 2-{[(2S)-2-HYDROXY-3-(9-PHENANTHRYLOXY)PROPYL]AMINO}PROPANE- 1,3-DIOL | A | 2V3R | 0.76 | |
DCH | 3-(7-DIAMINOMETHYL-NAPHTHALEN-2- YL)-PROPIONIC ACID ETHYL ESTER | H | 1UVU | 0.73 | |
DPD | A,B | 1QIW | 0.72 | | |
| DPD | A | 1QIV | 0.72 | | |
ROL | ROLIPRAM | A,B,C,D | 1OYN | 0.7 | |
| ROL | ROLIPRAM | A,B | 1XMY | 0.7 | |
| ROL | ROLIPRAM | A,B,C,D | 1Q9M | 0.7 | |
| ROL | ROLIPRAM | A,B | 1RO6 | 0.7 | |
| ROL | ROLIPRAM | A,B | 1XN0 | 0.7 | |
| ROL | ROLIPRAM | A,B | 1TBB | 0.7 | |
TON | 2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOL | A,B | 1SEZ | 0.71 | |
B76 | A,B | 2E9D | 0.71 | |