Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02815816
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 |
5MB![]() | 5-METHYLBENZIMIDAZOLE | A | 1JHM | 0.71 | ![]() |
BPG![]() | 9-(4-HYDROXYBUTYL)-N2-PHENYLGUANINE | A,B | 1QHI | 0.73 | ![]() |
78P![]() | (2R)-2-(7-carbamoyl-1H-benzimidazol- 2-yl)-2-methylpyrrolidinium | A | 2RD6 | 0.72 | ![]() |
U05![]() | 6,11-DIHYDRO-11-ETHYL-6-METHYL- 9-NITRO-5H-PYRIDO[2,3-B][1,5]BENZODIAZEPIN- 5-ONE | A | 1RTH | 0.7 | ![]() |
U05![]() | 6,11-DIHYDRO-11-ETHYL-6-METHYL- 9-NITRO-5H-PYRIDO[2,3-B][1,5]BENZODIAZEPIN- 5-ONE | A | 1RT3 | 0.7 | ![]() |
U05![]() | 6,11-DIHYDRO-11-ETHYL-6-METHYL- 9-NITRO-5H-PYRIDO[2,3-B][1,5]BENZODIAZEPIN- 5-ONE | A | 1LW2 | 0.7 | ![]() |
YE7![]() | IMIDAZO[2,1-A]ISOQUINOLINE-2-CARBOHYDRAZIDE | A | 2P98 | 0.73 | ![]() |
SC3![]() | 7-BENZYL-1,3-DIMETHYL-8-PIPERAZIN- 1-YL-3,7-DIHYDRO-PURINE-2,6-DIONE | A,B,C,D | 2AJ8 | 0.81 | ![]() |
TSX![]() | N-[4-(1-ALLYL-3-BUTYL-2,6-DIOXO- 2,3,6,7-TETRAHYDRO-1H-PURIN-8-YLMETHYL)- PHENYL]-ACETAMIDE | A | 1M51 | 0.8 | ![]() |
FTB![]() | N-{4-[1-(2-FLUOROBENZYL)-3-BUTYL- 2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H- PURIN-8-YLMETHYL]-PHENYL}-ACETAMIDE | A | 1NHX | 0.77 | ![]() |
BMI![]() | 3-[5-(1H-IMIDAZOL-1-YL)-7-METHYL- 1H-BENZIMIDAZOL-2-YL]-4-[(PYRIDIN- 2-YLMETHYL)AMINO]PYRIDIN-2(1H)- ONE | A | 2OJ9 | 0.71 | ![]() |
FR2![]() | 1-((1R)-1-(HYDROXYMETHYL)-3-PHENYLPROPYL)- 1H-IMIDAZOLE-4-CARBOXAMIDE | A | 1NDW | 0.73 | ![]() |
T15![]() | 2-{3-[(benzylsulfonyl)amino]-6- methyl-2-oxopyridin-1(2H)-yl}-N- ({1-[2-(tert-butylamino)-2-oxoethyl]- 4-methyl-1H-imidazol-5-yl}methyl)acetamide | A,B | 3C1K | 0.73 | ![]() |
GVI![]() | N-METHYL-1-[4-(9H-PURIN-6-YL)PHENYL]METHANAMINE | A | 2UVY | 0.72 | ![]() |
PB3![]() | N,N'-BIS(3-METHYLBENZYL)PYRIMIDINE- 4,6-DICARBOXAMIDE | A,B | 1XUC | 0.71 | ![]() |
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 | 0.76 | ![]() |
GVJ![]() | (S)-1-PHENYL-1-[4-(9H-PURIN-6-YL)PHENYL]METHANAMINE | A | 2UVZ | 0.71 | ![]() |
PIM![]() | 4-PHENYL-1H-IMIDAZOLE | A,B | 2D0T | 0.74 | ![]() |
PIM![]() | 4-PHENYL-1H-IMIDAZOLE | A | 1E9X | 0.74 | ![]() |
PIM![]() | 4-PHENYL-1H-IMIDAZOLE | A | 1PHD | 0.74 | ![]() |
PIM![]() | 4-PHENYL-1H-IMIDAZOLE | A,B,C,D | 2RFC | 0.74 | ![]() |
PIM![]() | 4-PHENYL-1H-IMIDAZOLE | A | 1ODO | 0.74 | ![]() |
PIM![]() | 4-PHENYL-1H-IMIDAZOLE | A | 3E5K | 0.74 | ![]() |
PIM![]() | 4-PHENYL-1H-IMIDAZOLE | A | 1PHE | 0.74 | ![]() |
PIM![]() | 4-PHENYL-1H-IMIDAZOLE | A,B | 1F4T | 0.74 | ![]() |
PIM![]() | 4-PHENYL-1H-IMIDAZOLE | A | 1S1F | 0.74 | ![]() |
PIM![]() | 4-PHENYL-1H-IMIDAZOLE | A | 1PHF | 0.74 | ![]() |
UN8![]() | N-(4-{[3-BUTYL-1-(2-FLUOROBENZYL)- 2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H- PURIN-8-YL]METHYL}PHENYL)-1-METHYL- 1H-IMIDAZOLE-4-SULFONAMIDE | A,B | 2GMV | 0.71 | ![]() |
HBN![]() | N-(2-NAPHTHYL)HISTIDINAMIDE | B | 1VEA | 0.74 | ![]() |
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 | 0.76 | ![]() |
120![]() | 2-(2-OXO-1,2-DIHYDRO-PYRIDIN-3- YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE | B | 1GI7 | 0.74 | ![]() |
120![]() | 2-(2-OXO-1,2-DIHYDRO-PYRIDIN-3- YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE | H,I | 1GHV | 0.74 | ![]() |
120![]() | 2-(2-OXO-1,2-DIHYDRO-PYRIDIN-3- YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE | A | 1GHZ | 0.74 | ![]() |
G14![]() | 2-phenyl-1H-imidazole-4-carboxylic acid | A,B | 3GRJ | 0.77 | ![]() |
EMU![]() | N-BENZYL-9H-PURIN-6-AMINE | A | 1W1S | 0.76 | ![]() |
N31![]() | N-[3-(1H-benzimidazol-1-yl)propanoyl]glycyl- L-alanyl-L-alaninamide | A | 3EXB | 0.72 | ![]() |
AAI![]() | trans-4-(7-carbamoyl-1H-benzimidazol- 2-yl)-1-propylpiperidinium | A | 2RCW | 0.71 | ![]() |
ABI![]() | 5-AMIDINO-BENZIMIDAZOLE | A | 1C2K | 0.72 | ![]() |
FXG![]() | N-butyl-3-{[6-(9H-purin-6-ylamino)hexanoyl]amino}benzamide | A | 3DAJ | 0.75 | ![]() |
P5C![]() | 2-{[(1R,2S)-2-aminocyclohexyl]amino}- 4-[(3-methylphenyl)amino]pyrimidine- 5-carboxamide | A | 3FQE | 0.71 | ![]() |