Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00508959
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 |
UIP | (1R,3AS,4R,8AS,8BR)-4-(2-BENZO[1,3]DIOXOL- 5-YLMETHYL-1-ETHYL-3-OXO-DECAHYDRO- PYRROLO[3,4-A]PYRROLIZIN-4-YL)- BENZAMIDINE | H,I | 1YPE | 0.71 | |
UIP | (1R,3AS,4R,8AS,8BR)-4-(2-BENZO[1,3]DIOXOL- 5-YLMETHYL-1-ETHYL-3-OXO-DECAHYDRO- PYRROLO[3,4-A]PYRROLIZIN-4-YL)- BENZAMIDINE | A | 1Y3W | 0.71 | |
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 | |
11N | 1-[1'-(3-phenylacryloyl)spiro[1- benzofuran-3,4'-piperidin]-5-yl]methanamine | A,B,C,D | 2ZEC | 0.73 | |
C01 | (2S)-(4-ISOPROPYLPHENYL)[(2-METHYL- 3-OXO-5,7-DIPROPYL-2,3-DIHYDRO- 1,2-BENZISOXAZOL-6-YL)OXY]ACETATE | A | 1ZEO | 0.71 | |
RHO | TETRAMETHYLRHODAMINE-5-MALEIMIDE | A | 1J6Z | 0.7 | |
RHO | TETRAMETHYLRHODAMINE-5-MALEIMIDE | A | 1NWK | 0.7 | |
HWG | N-(TERT-BUTYL)-3,5-DIMETHYL-N'- [(5-METHYL-2,3-DIHYDRO-1,4-BENZODIOXIN- 6-YL)CARBONYL]BENZOHYDRAZIDE | A,D | 1R20 | 0.76 | |
EMD | 5-[1-(3,4-DIMETHOXY-BENZOYL)-1,2,3,4- TETRAHYDRO-QUINOLIN-6-YL]-6-METHYL- 3,6-DIHYDRO-[1,3,4]THIADIAZIN-2- ONE | A | 1IH0 | 0.71 | |
TMS | N-PROPYL-4-[(E)-2-(3,4,5-TRIMETHOXY- PHENYL)-VINYL]-BENZAMIDE | A,B | 1X6W | 0.71 | |
GGO | (4R,5R)-5-AMINO-1-[2-(1,3-BENZODIOXOL- 5-YL)ETHYL]-4-(2,4,5-TRIFLUOROPHENYL)PIPERIDIN- 2-ONE | B | 2OQI | 0.71 | |
DK2 | 2-[(1R)-1-CARBOXY-2-(4-HYDROXYPHENYL)ETHYL]- 1,3-DIOXOISOINDOLINE-5-CARBOXYLIC ACID | A,B | 2PU2 | 0.7 | |
LZP | 4,4'-piperazine-1,4-diylbis{1-[3- (benzyloxy)phenyl]-4-oxobutane- 1,3-dione} | A | 3EAX | 0.7 | |
183 | 1-((2-HYDROXYETHOXY)METHYL)-5-(3- (BENZYLOXY)BENZYL)PYRIMIDINE-2,4(1H,3H)- DIONE | A,B,C,D,E,F | 1U1F | 0.7 | |
GL8 | GALANTHAMINE DERIVATIVE | A | 1W4L | 0.84 | |
4SR | (4S)-4-[3-(CYCLOPENTYLOXY)-4-METHOXYPHENYL]PYRROLIDIN- 2-ONE | A,B | 1XN0 | 0.73 | |
RHQ | RHODAMINE 6G | A,B,D,E | 1JUS | 0.72 | |
RHQ | RHODAMINE 6G | A,B,D,E | 3BR5 | 0.72 | |
RHQ | RHODAMINE 6G | A,D,E | 3BR6 | 0.72 | |
RHQ | RHODAMINE 6G | A,B | 3D6Z | 0.72 | |
RHQ | RHODAMINE 6G | A | 1OY8 | 0.72 | |
RHQ | RHODAMINE 6G | A | 1T9V | 0.72 | |
4MP | 1-(4-METHOXYBENZOYL)-2-PYRROLIDINONE | A,B | 2AL5 | 0.74 | |
CX6 | 2,3,6A,7,8,9-HEXAHYDRO-11H-[1,4]DIOXINO[2,3- G]PYRROLO[2,1-B][1,3]BENZOXAZIN- 11-ONE | A,B,C,D,E,F | 2AL4 | 0.73 | |
1CD | (13R,15S)-13-METHYL-16-OXA-8,9,12,22,24- PENTAAZAHEXACYCLO[15.6.2.16,9.1,12,15.0,2,7.0,21,25]HEPTACOSA- 1(24),2,4,6,17(25),18,20-HEPTAENE- 23,26-DIONE | A | 2DS1 | 0.7 | |
323 | 2-[3,6-bis(dimethylamino)xanthen- 9-yl]-5-methanoyl-benzoate | A,P,Q | 3D1F | 0.71 | |
UIQ | (1R,3AS,4R,8AS,8BR)-4-(2-BENZO[1,3]DIOXOL- 5-YLMETHYL-1-ISOPROPYL-3-OXO-DECAHYDRO- PYRROLO[3,4-A]PYRROLIZIN-4-YL)- BENZAMIDINE | A | 1Y3U | 0.71 | |
ROL | ROLIPRAM | A,B,C,D | 1OYN | 0.73 | |
ROL | ROLIPRAM | A,B | 1XMY | 0.73 | |
ROL | ROLIPRAM | A,B,C,D | 1Q9M | 0.73 | |
ROL | ROLIPRAM | A,B | 1RO6 | 0.73 | |
ROL | ROLIPRAM | A,B | 1XN0 | 0.73 | |
ROL | ROLIPRAM | A,B | 1TBB | 0.73 | |
UIB | (1R,3AS,4R,8AS,8BR)-4-{5-(PHENYL[1,3]DIOXOL- 5-YLMETHYL)-4-ETHYL-2,3,3-TRIMETHYL- 6-OXO-OCTAHYDRO-PYRROLO[3,4-C]PYRROL- 1-YL}-BENZAMIDINE | H,I | 1YPJ | 0.72 | |
UIB | (1R,3AS,4R,8AS,8BR)-4-{5-(PHENYL[1,3]DIOXOL- 5-YLMETHYL)-4-ETHYL-2,3,3-TRIMETHYL- 6-OXO-OCTAHYDRO-PYRROLO[3,4-C]PYRROL- 1-YL}-BENZAMIDINE | A | 1Y3X | 0.72 | |
EH5 | N-(1-BENZYL-3-{[3-(1,3-DIOXO-1,3- DIHYDRO-ISOINDOL-2-YL)-PROPIONYL]- [2-(HEXAHYDRO-BENZO[1,3]DIOXOL- 5-YL)-ETHYL]-AMINO}-2-HYDROXY-PROPYL)- 4-BENZYLOXY-3,5-DIMETHOXY-BENZAMIDE | A | 1LF3 | 0.73 | |
E20 | 1-BENZYL-4-[(5,6-DIMETHOXY-1-INDANON- 2-YL)METHYL]PIPERIDINE | A | 1EVE | 0.76 | |
DEO | A,B | 1ROS | 0.79 |