Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03203478
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 |
APT![]() | 2-AMINO-6-[(4-CARBOXY-PHENYLAMINO)- METHYL]-4-HYDROXY-PTERIDIN-1-IUM | A,B | 1QCJ | 0.73 | ![]() |
IM9![]() | 2-{4-[4-({4-[2-methyl-1-(1-methylethyl)- 1H-imidazol-5-yl]pyrimidin-2-yl}amino)phenyl]piperazin- 1-yl}-2-oxoethanol | A | 2VV9 | 0.72 | ![]() |
DDE![]() | {3-[4-(2-AMINO-2-CARBOXY-ETHYL)- 1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}- TRIMETHYL-AMMONIUM | T | 2P8Z | 0.7 | ![]() |
DDE![]() | {3-[4-(2-AMINO-2-CARBOXY-ETHYL)- 1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}- TRIMETHYL-AMMONIUM | T | 2P8Y | 0.7 | ![]() |
DDE![]() | {3-[4-(2-AMINO-2-CARBOXY-ETHYL)- 1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}- TRIMETHYL-AMMONIUM | A,B,C,D,E,F | 2ZIT | 0.7 | ![]() |
DDE![]() | {3-[4-(2-AMINO-2-CARBOXY-ETHYL)- 1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}- TRIMETHYL-AMMONIUM | A,C,E | 1ZM3 | 0.7 | ![]() |
DDE![]() | {3-[4-(2-AMINO-2-CARBOXY-ETHYL)- 1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}- TRIMETHYL-AMMONIUM | A | 1U2R | 0.7 | ![]() |
DDE![]() | {3-[4-(2-AMINO-2-CARBOXY-ETHYL)- 1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}- TRIMETHYL-AMMONIUM | A,B,C,D,E,F | 1ZM9 | 0.7 | ![]() |
DDE![]() | {3-[4-(2-AMINO-2-CARBOXY-ETHYL)- 1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}- TRIMETHYL-AMMONIUM | A,B,C,D,E,F | 3B78 | 0.7 | ![]() |
DDE![]() | {3-[4-(2-AMINO-2-CARBOXY-ETHYL)- 1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}- TRIMETHYL-AMMONIUM | A,B,C,D,E,F | 3B8H | 0.7 | ![]() |
DDE![]() | {3-[4-(2-AMINO-2-CARBOXY-ETHYL)- 1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}- TRIMETHYL-AMMONIUM | T | 2P8X | 0.7 | ![]() |
DDE![]() | {3-[4-(2-AMINO-2-CARBOXY-ETHYL)- 1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}- TRIMETHYL-AMMONIUM | A,B,C,D,E,F | 3B82 | 0.7 | ![]() |
DDE![]() | {3-[4-(2-AMINO-2-CARBOXY-ETHYL)- 1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}- TRIMETHYL-AMMONIUM | A,B,C,D,E,F | 1ZM4 | 0.7 | ![]() |
DDE![]() | {3-[4-(2-AMINO-2-CARBOXY-ETHYL)- 1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}- TRIMETHYL-AMMONIUM | A,C,E | 1ZM2 | 0.7 | ![]() |
4RB![]() | 4-(6-{[(1R)-1-(hydroxymethyl)propyl]amino}imidazo[1,2- b]pyridazin-3-yl)benzoic acid | A | 3BQR | 0.76 | ![]() |
ALH![]() | 6-PHENYL[5H]PYRROLO[2,3-B]PYRAZINE | A,B | 1UNG | 0.73 | ![]() |
CX1![]() | N-[(benzyloxy)carbonyl]-L-histidyl- N-methyl-L-phenylalanyl-L-tyrosine | B | 3C72 | 0.73 | ![]() |
HBN![]() | N-(2-NAPHTHYL)HISTIDINAMIDE | B | 1VEA | 0.71 | ![]() |
GDV![]() | (5R,6R,7R,8S)-8-(ACETYLAMINO)-6,7- DIHYDROXY-5-(HYDROXYMETHYL)-N-PHENYL- 1,5,6,7,8,8A-HEXAHYDROIMIDAZO[1,2- A]PYRIDINE-2-CARBOXAMIDE | A | 2J47 | 0.73 | ![]() |
121![]() | 2-(3-HYDROXY-PYRIDIN-2-YL)-1H-BENZOIMIDAZOLE- 5-CARBOXAMIDINE | H,I,L | 1GHY | 0.72 | ![]() |
801![]() | 2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL- 2-YL}PYRIDIN-3-OLATE | A | 1O34 | 0.71 | ![]() |
801![]() | 2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL- 2-YL}PYRIDIN-3-OLATE | A | 1O31 | 0.71 | ![]() |
801![]() | 2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL- 2-YL}PYRIDIN-3-OLATE | A | 1O33 | 0.71 | ![]() |
801![]() | 2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL- 2-YL}PYRIDIN-3-OLATE | A | 1O32 | 0.71 | ![]() |
IEY![]() | 2-((1E)-2-(5-IMIDAZOLYL)ETHENYL)- 4-(P-HYDROXYBENZYLIDENE)-5-IMIDAZOLINONE | A,B,C,D | 2BTJ | 0.73 | ![]() |
IEY![]() | 2-((1E)-2-(5-IMIDAZOLYL)ETHENYL)- 4-(P-HYDROXYBENZYLIDENE)-5-IMIDAZOLINONE | A,B,C,D | 2VVJ | 0.73 | ![]() |
CCK![]() | [1-(6-{6-[(1-methylethyl)amino]- 1H-indazol-1-yl}pyrazin-2-yl)-1H- pyrrol-3-yl]acetic acid | X | 3E3B | 0.72 | ![]() |
FRT![]() | N-(2-METHOXYETHYL)-4-({4-[2-METHYL- 1-(1-METHYLETHYL)-1H-IMIDAZOL-5- YL]PYRIMIDIN-2-YL}AMINO)BENZENESULFONAMIDE | A | 2W05 | 0.7 | ![]() |
COP![]() | N-(4-CARBOXY-4-{4-[(2,4-DIAMINO- PTERIDIN-6-YLMETHYL)-AMINO]-BENZOYLAMINO}- BUTYL)-PHTHALAMIC ACID | A | 1OHJ | 0.72 | ![]() |
COP![]() | N-(4-CARBOXY-4-{4-[(2,4-DIAMINO- PTERIDIN-6-YLMETHYL)-AMINO]-BENZOYLAMINO}- BUTYL)-PHTHALAMIC ACID | A | 1OHK | 0.72 | ![]() |
3DD![]() | (2R,3R)-4-(4-AMINO-1H-IMIDAZO[4,5- C]PYRIDIN-1-YL)-2,3-DIHYDROXYBUTANOIC ACID | A,B,C,D,E,F, G,H | 2H5L | 0.72 | ![]() |
AXD![]() | 2-[4-({2-[(2S,5R)-2-(AMINOMETHYL)- 5-ETHYNYLPYRROLIDIN-1-YL]-2-OXOETHYL}AMINO)- 4-METHYLPIPERIDIN-1-YL]ISONICOTINIC ACID | B | 2I03 | 0.73 | ![]() |
368![]() | (1R)-2-{[AMINO(IMINO)METHYL]AMINO}- 1-{4-[(4R)-4-(HYDROXYMETHYL)-1,3,2- DIOXABOROLAN-2-YL]PHENYL}ETHYL NICOTINATE | A | 1ZLR | 0.71 | ![]() |
G14![]() | 2-phenyl-1H-imidazole-4-carboxylic acid | A,B | 3GRJ | 0.75 | ![]() |
IDE![]() | (5R,6R,7S,8S)-3-(ANILINOMETHYL)- 5,6,7,8-TETRAHYDRO-5-(HYDROXYMETHYL)- IMIDAZO[1,2-A]PYRIDINE-6,7,8-TRIOL | A | 1X39 | 0.71 | ![]() |
IDE![]() | (5R,6R,7S,8S)-3-(ANILINOMETHYL)- 5,6,7,8-TETRAHYDRO-5-(HYDROXYMETHYL)- IMIDAZO[1,2-A]PYRIDINE-6,7,8-TRIOL | A,B | 2J7C | 0.71 | ![]() |
IMH![]() | 1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN- 9-YL)-D-RIBITOL | A | 2OC9 | 0.7 | ![]() |
IMH![]() | 1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN- 9-YL)-D-RIBITOL | A | 1B8O | 0.7 | ![]() |
IMH![]() | 1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN- 9-YL)-D-RIBITOL | A,B,C | 1G2O | 0.7 | ![]() |
IMH![]() | 1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN- 9-YL)-D-RIBITOL | A,B,C,D,E,F | 1NW4 | 0.7 | ![]() |
IMH![]() | 1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN- 9-YL)-D-RIBITOL | A | 1RT9 | 0.7 | ![]() |
IMH![]() | 1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN- 9-YL)-D-RIBITOL | A,B | 2FF1 | 0.7 | ![]() |
IMH![]() | 1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN- 9-YL)-D-RIBITOL | A,B | 2FF2 | 0.7 | ![]() |
IMH![]() | 1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN- 9-YL)-D-RIBITOL | A | 2OC4 | 0.7 | ![]() |
IMH![]() | 1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN- 9-YL)-D-RIBITOL | E | 2Q7O | 0.7 | ![]() |
IMH![]() | 1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN- 9-YL)-D-RIBITOL | A | 1RR6 | 0.7 | ![]() |
IMH![]() | 1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN- 9-YL)-D-RIBITOL | A,B | 3B9G | 0.7 | ![]() |
IMH![]() | 1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN- 9-YL)-D-RIBITOL | E | 1PF7 | 0.7 | ![]() |
IMH![]() | 1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN- 9-YL)-D-RIBITOL | A | 2ON6 | 0.7 | ![]() |