Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00331459
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 |
HDU![]() | N-[4-(2-METHYLIMIDAZO[1,2-A]PYRIDIN- 3-YL)-2-PYRIMIDINYL]ACETAMIDE | A | 1OIQ | 0.73 | ![]() |
TRM![]() | 1H-BENOXIMIDAZOLE-2-CARBOXYLIC ACID | A | 1FQ4 | 0.8 | ![]() |
5MB![]() | 5-METHYLBENZIMIDAZOLE | A | 1JHM | 0.71 | ![]() |
AD3![]() | 3-DEAZA-ADENOSINE | A,B | 1KIE | 0.71 | ![]() |
AD3![]() | 3-DEAZA-ADENOSINE | A,B,C,D | 2ZIZ | 0.71 | ![]() |
AD3![]() | 3-DEAZA-ADENOSINE | A,B | 1R4F | 0.71 | ![]() |
AD3![]() | 3-DEAZA-ADENOSINE | A,B | 1HP0 | 0.71 | ![]() |
JNF![]() | N-cyclohexyl-4-imidazo[1,2-a]pyridin- 3-yl-N-methylpyrimidin-2-amine | A | 3CGF | 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 | ![]() |
IDD![]() | (5R,6R,7S,8S)-5-(HYDROXYMETHYL)- 2-PHENYL-5,6,7,8-TETRAHYDROIMIDAZO[1,2- A]PYRIDINE-6,7,8-TRIOL | A | 1X38 | 0.72 | ![]() |
IDD![]() | (5R,6R,7S,8S)-5-(HYDROXYMETHYL)- 2-PHENYL-5,6,7,8-TETRAHYDROIMIDAZO[1,2- A]PYRIDINE-6,7,8-TRIOL | A | 1LQ2 | 0.72 | ![]() |
SCE![]() | 3-methyl-N-(pyridin-4-ylmethyl)imidazo[1,2- a]pyrazin-8-amine | A | 2R3H | 0.7 | ![]() |
RBZ![]() | ALPHA-RIBAZOLE-5'-PHOSPHATE | A | 1D0V | 0.71 | ![]() |
RBZ![]() | ALPHA-RIBAZOLE-5'-PHOSPHATE | A | 1L4E | 0.71 | ![]() |
RRC![]() | R-ROSCOVITINE | A,B,C,D | 3DDQ | 0.71 | ![]() |
RRC![]() | R-ROSCOVITINE | A | 1YGK | 0.71 | ![]() |
RRC![]() | R-ROSCOVITINE | A | 1UNL | 0.71 | ![]() |
RRC![]() | R-ROSCOVITINE | A | 2A4L | 0.71 | ![]() |
CCK![]() | [1-(6-{6-[(1-methylethyl)amino]- 1H-indazol-1-yl}pyrazin-2-yl)-1H- pyrrol-3-yl]acetic acid | X | 3E3B | 0.71 | ![]() |
P01![]() | 2-({6-[(3-CHLOROPHENYL)AMINO]-9- ISOPROPYL-9H-PURIN-2-YL}AMINO)- 3-METHYLBUTAN-1-OL | A | 2IZU | 0.71 | ![]() |
P01![]() | 2-({6-[(3-CHLOROPHENYL)AMINO]-9- ISOPROPYL-9H-PURIN-2-YL}AMINO)- 3-METHYLBUTAN-1-OL | A,B | 1YOM | 0.71 | ![]() |
P01![]() | 2-({6-[(3-CHLOROPHENYL)AMINO]-9- ISOPROPYL-9H-PURIN-2-YL}AMINO)- 3-METHYLBUTAN-1-OL | A | 2Z7S | 0.71 | ![]() |
R11![]() | 4-{[1-METHYL-5-(2-METHYL-BENZOIMIDAZOL- 1-YLMETHYL)-1H-BENZOIMIDAZOL-2- YLMETHYL]-AMINO}-BENZAMIDINE | A | 1G2M | 0.73 | ![]() |
R11![]() | 4-{[1-METHYL-5-(2-METHYL-BENZOIMIDAZOL- 1-YLMETHYL)-1H-BENZOIMIDAZOL-2- YLMETHYL]-AMINO}-BENZAMIDINE | B,C | 1G32 | 0.73 | ![]() |
R11![]() | 4-{[1-METHYL-5-(2-METHYL-BENZOIMIDAZOL- 1-YLMETHYL)-1H-BENZOIMIDAZOL-2- YLMETHYL]-AMINO}-BENZAMIDINE | A | 1G36 | 0.73 | ![]() |
T50![]() | 1-(2,6-DIFLUOROBENZYL)-2-(2,6-DIFLUOROPHENYL)- 4-METHYL-1H-BENZIMIDAZOLE | A | 2B6A | 0.75 | ![]() |
MBZ![]() | 1-[2-DEOXYRIBOFURANOSYL]-4-METHYL- BENZOIMIDAZOLE-5'-MONOPHOSPHATE | 1,2 | 1EEK | 0.74 | ![]() |
NVG![]() | 4-AMINO-1-(5-{[3-(1H-BENZIMIDAZOL- 2-YL)PROPANOYL]AMINO}-5-DEOXY-ALPHA- L-LYXOFURANOSYL)PYRIMIDIN-2(1H)- ONE | A,B | 2V2Q | 0.74 | ![]() |
1RB![]() | 1-ALPHA-D-RIBOFURANOSYL-BENZIMIAZOLE- 5'-PHOSPHATE | A | 1L5K | 0.76 | ![]() |
120![]() | 2-(2-OXO-1,2-DIHYDRO-PYRIDIN-3- YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE | B | 1GI7 | 0.71 | ![]() |
120![]() | 2-(2-OXO-1,2-DIHYDRO-PYRIDIN-3- YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE | H,I | 1GHV | 0.71 | ![]() |
120![]() | 2-(2-OXO-1,2-DIHYDRO-PYRIDIN-3- YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE | A | 1GHZ | 0.71 | ![]() |
RC8![]() | (2R)-2-({9-(1-methylethyl)-6-[(4- pyridin-2-ylbenzyl)amino]-9H-purin- 2-yl}amino)butan-1-ol | A,C | 3DDP | 0.71 | ![]() |
ABI![]() | 5-AMIDINO-BENZIMIDAZOLE | A | 1C2K | 0.71 | ![]() |
PIQ![]() | 2-AMINO-1-METHYL-6-PHENYLIMIDAZO[4,5- B]PYRIDINE | A,B | 2QXM | 0.73 | ![]() |
PIQ![]() | 2-AMINO-1-METHYL-6-PHENYLIMIDAZO[4,5- B]PYRIDINE | A | 1HZ0 | 0.73 | ![]() |
BPG![]() | 9-(4-HYDROXYBUTYL)-N2-PHENYLGUANINE | A,B | 1QHI | 0.72 | ![]() |
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 | ![]() |
XX5![]() | (S,S)-2-{1-CARBOXY-2-[3-(3,5-DICHLORO- BENZYL)-3H-IMIDAZOL-4-YL]-ETHYLAMINO}- 4-METHYL-PENTANOIC ACID | A | 1R4L | 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 | 1X39 | 0.72 | ![]() |
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 | 0.72 | ![]() |
OLO![]() | OLOMOUCINE | A | 4ERK | 0.71 | ![]() |
OLO![]() | OLOMOUCINE | C | 1W0X | 0.71 | ![]() |
BZI![]() | BENZIMIDAZOLE | A | 1RYC | 0.74 | ![]() |
BZI![]() | BENZIMIDAZOLE | A | 1L5F | 0.74 | ![]() |
BZI![]() | BENZIMIDAZOLE | A | 1KXM | 0.74 | ![]() |
1DA![]() | 1-DEAZA-ADENOSINE | A | 1ADD | 0.7 | ![]() |
NHV![]() | (5R,6R,7S,8R)-6,7,8-trihydroxy- 5-(hydroxymethyl)-2-[(phenylamino)methyl]- 5,6,7,8-tetrahydro-1H-imidazo[1,2- a]pyridin-4-ium | A,B | 2VOT | 0.7 | ![]() |
DBI![]() | PHOSPHORIC ACID MONO-[5-(5,6-DIMETHYL- BENZOIMIDAZOL-1-YL)-4-HYDROXY-2- HYDROXYMETHYL-TETRAHYDRO-FURAN- 3-YL] ESTER | A | 1ID8 | 0.71 | ![]() |
78P![]() | (2R)-2-(7-carbamoyl-1H-benzimidazol- 2-yl)-2-methylpyrrolidinium | A | 2RD6 | 0.71 | ![]() |
BTO![]() | 4-[3-(3-NITROPHENYL)-1,2,4-OXADIAZOL- 5-YL]BUTANOIC ACID | A | 2IKG | 0.7 | ![]() |
RMC![]() | (2R)-2-({6-[BENZYL(METHYL)AMINO]- 9-ISOPROPYL-9H-PURIN-2-YL}AMINO)BUTAN- 1-OL | A | 1YGJ | 0.71 | ![]() |
RMB![]() | N1-(5'-PHOSPHO-ALPHA-RIBOSYL)-5- METHYLBENZIMIDAZOLE | A | 1JHO | 0.73 | ![]() |
V12![]() | 5'-[(1H-BENZIMIDAZOL-2-YLACETYL)AMINO]- 5'-DEOXYCYTIDINE | A,B | 2V2V | 0.73 | ![]() |
6HI![]() | (3R,5R)-7-{2-[(4-fluorobenzyl)carbamoyl]- 4-(4-fluorophenyl)-1-(1-methylethyl)- 1H-imidazol-5-yl}-3,5-dihydroxyheptanoic acid | B,C,D | 3CD0 | 0.7 | ![]() |
T87![]() | [(1-{2[(4-CARBAMIMIDOYL-PHENYLAMINO)- METHYL]-1-METHYL-1H-BENZOIMIDAZOL- 5-YL}-CYCLOPROPYL)-PYRIDIN-2-YL- METHYLENEAMINOOXY]-ACETIC ACID ETHYL ESTER | B,C | 1G30 | 0.7 | ![]() |
T87![]() | [(1-{2[(4-CARBAMIMIDOYL-PHENYLAMINO)- METHYL]-1-METHYL-1H-BENZOIMIDAZOL- 5-YL}-CYCLOPROPYL)-PYRIDIN-2-YL- METHYLENEAMINOOXY]-ACETIC ACID ETHYL ESTER | A | 1G2L | 0.7 | ![]() |
T87![]() | [(1-{2[(4-CARBAMIMIDOYL-PHENYLAMINO)- METHYL]-1-METHYL-1H-BENZOIMIDAZOL- 5-YL}-CYCLOPROPYL)-PYRIDIN-2-YL- METHYLENEAMINOOXY]-ACETIC ACID ETHYL ESTER | A | 1OYQ | 0.7 | ![]() |
AAI![]() | trans-4-(7-carbamoyl-1H-benzimidazol- 2-yl)-1-propylpiperidinium | A | 2RCW | 0.71 | ![]() |
HAN![]() | 2-AMINO-5,6-DIMETHYL-BENZIMIDAZOLE- 1-PENTANOIC ACID | B,D,E,H | 1Y18 | 0.89 | ![]() |
HAN![]() | 2-AMINO-5,6-DIMETHYL-BENZIMIDAZOLE- 1-PENTANOIC ACID | A,D,E,F,H | 1Y0L | 0.89 | ![]() |
N31![]() | N-[3-(1H-benzimidazol-1-yl)propanoyl]glycyl- L-alanyl-L-alaninamide | A | 3EXB | 0.78 | ![]() |
QQQ![]() | 1-(1-methylethyl)-1H-benzimidazole- 2-sulfonic acid | A,B,C,D | 3GNC | 0.8 | ![]() |
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 | 0.74 | ![]() |
BAH![]() | BIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONE HYDRATE | A | 1C2G | 0.71 | ![]() |
BAH![]() | BIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONE HYDRATE | A | 1C2F | 0.71 | ![]() |
BAH![]() | BIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONE HYDRATE | H,I,L | 1C1W | 0.71 | ![]() |
TRN![]() | NZ2-TRYPTOPHAN | A,B,C | 1AM7 | 0.7 | ![]() |
RFZ![]() | 5,6-dichloro-1-beta-D-ribofuranosyl- 1H-benzimidazole | A,B | 3H30 | 0.71 | ![]() |