Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00781796
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 |
R23![]() | METHYL-[4-(4-PIPERIDINE-1-YLMETHYL- PHENYL)-CYCLOHEXYL]-CARBAMINIC ACID- (4-CHLOROPHENYL)-ESTER | A,B,C | 1O79 | 0.72 | ![]() |
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 | ![]() |
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 | 0.73 | ![]() |
TF3![]() | N-(2-AMINOETHYL)-2-{3-CHLORO-4- [(4-ISOPROPYLBENZYL)OXY]PHENYL} ACETAMIDE | A | 2BU7 | 0.72 | ![]() |
GGO![]() | (4R,5R)-5-AMINO-1-[2-(1,3-BENZODIOXOL- 5-YL)ETHYL]-4-(2,4,5-TRIFLUOROPHENYL)PIPERIDIN- 2-ONE | B | 2OQI | 0.83 | ![]() |
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 | 0.73 | ![]() |
E20![]() | 1-BENZYL-4-[(5,6-DIMETHOXY-1-INDANON- 2-YL)METHYL]PIPERIDINE | A | 1EVE | 0.73 | ![]() |
MR1![]() | 1-(1,3-BENZODIOXOL-5-YL)METHANAMINE | A | 2ORQ | 0.7 | ![]() |
PEM![]() | 2-[P-[2-P-CHLOROBENZAMIDO)ETHYL]PHENOXY]- 2-METHYLPROPIONIC ACID | A,B | 1IWH | 0.7 | ![]() |
14A![]() | N-ALLYL-5-AMIDINOAMINOOXY-PROPYLOXY- 3-CHLORO-N-CYCLOPENTYLBENZAMIDE | H,I | 1T4V | 0.7 | ![]() |
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 | ![]() |
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 | ![]() |
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 | 0.71 | ![]() |
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 | 0.71 | ![]() |
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 | 0.71 | ![]() |
11N![]() | 1-[1'-(3-phenylacryloyl)spiro[1- benzofuran-3,4'-piperidin]-5-yl]methanamine | A,B,C,D | 2ZEC | 0.71 | ![]() |
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 | 0.71 | ![]() |