Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02349927
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 |
IZA![]() | 2-TERT-BUTYL-9-FLUORO-3,6-DIHYDRO- 7H-BENZ[H]-IMIDAZ[4,5-F]ISOQUINOLINE- 7-ONE | A | 3EYH | 0.72 | ![]() |
IZA![]() | 2-TERT-BUTYL-9-FLUORO-3,6-DIHYDRO- 7H-BENZ[H]-IMIDAZ[4,5-F]ISOQUINOLINE- 7-ONE | A,B | 2B7A | 0.72 | ![]() |
IZA![]() | 2-TERT-BUTYL-9-FLUORO-3,6-DIHYDRO- 7H-BENZ[H]-IMIDAZ[4,5-F]ISOQUINOLINE- 7-ONE | A,B | 2J90 | 0.72 | ![]() |
AAI![]() | trans-4-(7-carbamoyl-1H-benzimidazol- 2-yl)-1-propylpiperidinium | A | 2RCW | 0.73 | ![]() |
T50![]() | 1-(2,6-DIFLUOROBENZYL)-2-(2,6-DIFLUOROPHENYL)- 4-METHYL-1H-BENZIMIDAZOLE | A | 2B6A | 0.7 | ![]() |
FR6![]() | 1-{(1R,2S)-2-HYDROXY-1-[2-(1-NAPHTHYL)ETHYL]PROPYL}- 1H-IMIDAZOLE-4-CARBOXAMIDE | A | 2E1W | 0.72 | ![]() |
YE7![]() | IMIDAZO[2,1-A]ISOQUINOLINE-2-CARBOHYDRAZIDE | A | 2P98 | 0.72 | ![]() |
FTB![]() | N-{4-[1-(2-FLUOROBENZYL)-3-BUTYL- 2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H- PURIN-8-YLMETHYL]-PHENYL}-ACETAMIDE | A | 1NHX | 0.73 | ![]() |
XIH![]() | 2-({8-[(3R)-3-AMINOPIPERIDIN-1- YL]-1,3-DIMETHYL-2,6-DIOXO-1,2,3,6- TETRAHYDRO-7H-PURIN-7-YL}METHYL)BENZONITRILE | A | 2GBI | 0.74 | ![]() |
CMI![]() | 1-(3-CARBAMIMIDOYL-BENZYL)-4-METHYL- 1H-INDOLE-2-CARBOXYLIC ACID 3,5- DIMETHYL-BENZYLAMIDE | B | 1LQD | 0.7 | ![]() |
C24![]() | 3-({2-[(4-CARBAMIMIDOYL-PHENYLAMINO)- METHYL]-3-METHYL-3H-BENZOIMIDAZOLE- 5-CARBONYL}-PYRIDIN-2-YL-AMINO)- PROPIONIC ACID ETHYL ESTER | B,C | 1KTS | 0.7 | ![]() |
LIR![]() | 2-[(3S)-3-AMINOPIPERIDIN-1-YL]- 1-(2-CYANOBENZYL)-5-METHYL-4,6- DIOXO-3,4,5,6-TETRAHYDROPYRROLO[3,4- D]IMIDAZOL-1-IUM | A | 2I3Z | 0.71 | ![]() |
FR3![]() | 1-((1R)-1-(HYDROXYMETHYL)-3-(1- NAPHTHYL)PROPYL)-1H-IMIDAZOLE-4- CARBOXAMIDE | A | 1NDY | 0.71 | ![]() |
TSX![]() | N-[4-(1-ALLYL-3-BUTYL-2,6-DIOXO- 2,3,6,7-TETRAHYDRO-1H-PURIN-8-YLMETHYL)- PHENYL]-ACETAMIDE | A | 1M51 | 0.73 | ![]() |
78P![]() | (2R)-2-(7-carbamoyl-1H-benzimidazol- 2-yl)-2-methylpyrrolidinium | A | 2RD6 | 0.71 | ![]() |
PM1![]() | [2-AMINO-6-(2,6-DIFLUORO-BENZOYL)- IMIDAZO[1,2-A]PYRIDIN-3-YL]-PHENYL- METHANONE | A | 1PYE | 0.89 | ![]() |
IYZ![]() | 1-(3-{6-[(CYCLOPROPYLMETHYL)AMINO]IMIDAZO[1,2- B]PYRIDAZIN-3-YL}PHENYL)ETHANONE | B | 2C3I | 0.73 | ![]() |
S79![]() | 6-amino-2-[(1-naphthylmethyl)amino]- 3,7-dihydro-8H-imidazo[4,5-g]quinazolin- 8-one | A | 2QZR | 0.71 | ![]() |
SC3![]() | 7-BENZYL-1,3-DIMETHYL-8-PIPERAZIN- 1-YL-3,7-DIHYDRO-PURINE-2,6-DIONE | A,B,C,D | 2AJ8 | 0.75 | ![]() |