Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03762487
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 |
BDS![]() | 2,3-BIS-BENZO[1,3]DIOXOL-5-YLMETHYL- SUCCINIC ACID | A,B | 1JJT | 0.74 | ![]() |
BYS![]() | 2-BENZO[1,3]DIOXOL-5-YLMETHYL-3- BENZYL-SUCCINIC ACID | A,B | 1JJE | 0.73 | ![]() |
MR1![]() | 1-(1,3-BENZODIOXOL-5-YL)METHANAMINE | A | 2ORQ | 0.73 | ![]() |
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 | 0.78 | ![]() |
DEO![]() | A,B | 1ROS | 0.74 | ![]() | |
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 | 0.8 | ![]() |
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 | 0.8 | ![]() |
GGO![]() | (4R,5R)-5-AMINO-1-[2-(1,3-BENZODIOXOL- 5-YL)ETHYL]-4-(2,4,5-TRIFLUOROPHENYL)PIPERIDIN- 2-ONE | B | 2OQI | 0.82 | ![]() |
4SR![]() | (4S)-4-[3-(CYCLOPENTYLOXY)-4-METHOXYPHENYL]PYRROLIDIN- 2-ONE | A,B | 1XN0 | 0.76 | ![]() |
HMT![]() | (3beta)-O~3~-[(2R)-2,6-dihydroxy- 2-(2-methoxy-2-oxoethyl)-6-methylheptanoyl]cephalotaxine | 0,1,2,3,9,A, B,C,F,J,K,L, M,N,O,Q,R,S, T,U,Y,Z | 3G6E | 0.71 | ![]() |
XN3![]() | N-[2(R)-HYDROXY-1(S)-INDANYL]-5- [(2(S)-TERTIARY BUTYLAMINOCARBONYL)- 4(BENZO[1,3]DIOXOL-5-YLMETHYL)- PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE | A,B | 1K6P | 0.77 | ![]() |
UIR![]() | (1R,3AS,4R,8AS,8BR)-4-(2-BENZO[1,3]DIOXOL- 5-YL-1-CYCLOPROPYL-3-OXO-DECAHYDRO- PYRROLO[3,4-A]PYRROLIZIN-4-YL)- BENZAMIDINE | A | 1Y3V | 0.77 | ![]() |
UIR![]() | (1R,3AS,4R,8AS,8BR)-4-(2-BENZO[1,3]DIOXOL- 5-YL-1-CYCLOPROPYL-3-OXO-DECAHYDRO- PYRROLO[3,4-A]PYRROLIZIN-4-YL)- BENZAMIDINE | H,I | 1YPG | 0.77 | ![]() |
UIR![]() | (1R,3AS,4R,8AS,8BR)-4-(2-BENZO[1,3]DIOXOL- 5-YL-1-CYCLOPROPYL-3-OXO-DECAHYDRO- PYRROLO[3,4-A]PYRROLIZIN-4-YL)- BENZAMIDINE | A | 1Y3Y | 0.77 | ![]() |
REN![]() | (S)-reticuline | A | 3FWA | 0.74 | ![]() |
REN![]() | (S)-reticuline | A | 3D2D | 0.74 | ![]() |
ROL![]() | ROLIPRAM | A,B,C,D | 1OYN | 0.76 | ![]() |
ROL![]() | ROLIPRAM | A,B | 1XMY | 0.76 | ![]() |
ROL![]() | ROLIPRAM | A,B,C,D | 1Q9M | 0.76 | ![]() |
ROL![]() | ROLIPRAM | A,B | 1RO6 | 0.76 | ![]() |
ROL![]() | ROLIPRAM | A,B | 1XN0 | 0.76 | ![]() |
ROL![]() | ROLIPRAM | A,B | 1TBB | 0.76 | ![]() |
XN2![]() | N-[2-HYDROXY-1-INDANYL]-5-[(2-TERTIARYBUTYLAMINOCARBONYL)- 4(BENZO[1,3]DIOXOL-5-YLMETHYL)- PIPERAZINO]-4-HYDROXY-2-(1-PHENYLETHYL)- PENTANAMIDE | A,B | 1K6V | 0.77 | ![]() |
UIZ![]() | (1R,3AS,4R,8AS,8BR)-4-(2-BENZO[1,3]DIOXOL- 5-YLMETHYL)-1-BENZYL-3-OXO-DECAHYDRO- PYRROLO[3,4-A]PYRROZILIN-4-YL-BENZAMIDINE | A | 1YP9 | 0.78 | ![]() |
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 | 0.78 | ![]() |
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 | 0.78 | ![]() |
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 | 0.72 | ![]() |
DPD![]() | A,B | 1QIW | 0.75 | ![]() | |
DPD![]() | A | 1QIV | 0.75 | ![]() | |
E20![]() | 1-BENZYL-4-[(5,6-DIMETHOXY-1-INDANON- 2-YL)METHYL]PIPERIDINE | A | 1EVE | 0.79 | ![]() |
NHN![]() | A,C | 2GVF | 0.71 | ![]() | |
SHY![]() | 4-[(3AS,4R,7R,8AS,8BR)-2-(1,3-BENZODIOXOL- 5-YLMETHYL)-7-HYDROXY-1,3-DIOXODECAHYDROPYRROLO[3,4- A]PYRROLIZIN-4-YL]BENZENECARBOXIMIDAMIDE | H | 1VZQ | 0.73 | ![]() |
348![]() | 4-[(1R,3AS,4R,8AS,8BR)-1-ISOPROPYL- 2-(4-METHOXYBENZYL)-3-OXODECAHYDROPYRROLO[3,4- A]PYRROLIZIN-4-YL]BENZENECARBOXIMIDAMIDE | H | 2CF9 | 0.72 | ![]() |
SLX![]() | (13aS)-3,10-dimethoxy-5,8,13,13a- tetrahydro-6H-isoquino[3,2-a]isoquinoline- 2,9-diol | A | 3FW9 | 0.72 | ![]() |
4MP![]() | 1-(4-METHOXYBENZOYL)-2-PYRROLIDINONE | A,B | 2AL5 | 0.7 | ![]() |