Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00422879
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 |
047![]() | 1-CYCLOHEXYL-N-{[1-(4-METHYLPHENYL)- 1H-INDOL-3-YL]METHYL}METHANAMINE | A,B | 2PJL | 0.7 | ![]() |
8AP![]() | N~3~-BENZYLPYRIDINE-2,3-DIAMINE | A | 2OHM | 0.7 | ![]() |
D26![]() | PHENYL-5-(1H-PYRAZOL-3-YL)-1,3- THIAZOLE | A,B,C,D | 2VCX | 0.75 | ![]() |
L12![]() | 3-(2-PYRIDIN-4-YLETHYL)-1H-INDOLE | A | 1W84 | 0.71 | ![]() |
SCZ![]() | 3-cyclopropyl-5-phenyl-N-(pyridin- 3-ylmethyl)pyrazolo[1,5-a]pyrimidin- 7-amine | A | 2R3N | 0.71 | ![]() |
FRZ![]() | 5-(2-PHENYLPYRAZOLO[1,5-A]PYRIDIN- 3-YL)-1H-PYRAZOLO[3,4-C]PYRIDAZIN- 3-AMINE | A | 1TVO | 0.72 | ![]() |
PPX![]() | [PHENYLALANINYL-PROLINYL]-[2-(PYRIDIN- 4-YLAMINO)-ETHYL]-AMINE | E,H | 1QBV | 0.71 | ![]() |
5IQ![]() | ISOQUINOLIN-5-AMINE | A,B | 2F2T | 0.71 | ![]() |
APY![]() | 2-AMINOMETHYL-PYRIDINE | A,B,I | 1HIV | 0.73 | ![]() |
APY![]() | 2-AMINOMETHYL-PYRIDINE | I | 1IVP | 0.73 | ![]() |
F29![]() | 1-ALLYL-5-(2-PHENYLPYRAZOLO[1,5- A]PYRIDIN-3-YL)-1H-PYRAZOLO[3,4- C]PYRIDAZIN-3-AMINE | A | 1WZY | 0.71 | ![]() |
VC3![]() | 3-(4-nitrophenyl)-1H-pyrazole | A,B,C,D | 2VCZ | 0.76 | ![]() |
7I2![]() | 7-NITROINDAZOLE-2-CARBOXAMIDINE | A,B | 1FOJ | 0.73 | ![]() |
LZ5![]() | N-phenyl-1H-pyrazole-3-carboxamide | A | 2VTL | 0.72 | ![]() |
TSS![]() | 2-(1H-INDOL-3-YL)ETHANAMINE | A,B,D,H | 2IUQ | 0.73 | ![]() |
TSS![]() | 2-(1H-INDOL-3-YL)ETHANAMINE | A,B | 2FPB | 0.73 | ![]() |
TSS![]() | 2-(1H-INDOL-3-YL)ETHANAMINE | D,H | 2AGW | 0.73 | ![]() |
TSS![]() | 2-(1H-INDOL-3-YL)ETHANAMINE | A | 2PQL | 0.73 | ![]() |
R20![]() | 4-(3-METHYLPHENYL)-1H-1,2,3-TRIAZOLE | A | 2ADU | 0.79 | ![]() |
IND![]() | INDOLE | A | 1L4H | 0.72 | ![]() |
IND![]() | INDOLE | A,B,G | 1O7N | 0.72 | ![]() |
IND![]() | INDOLE | A | 185L | 0.72 | ![]() |
IND![]() | INDOLE | A,B | 1EG9 | 0.72 | ![]() |
IND![]() | INDOLE | A,B | 1UUV | 0.72 | ![]() |
IND![]() | INDOLE | A,C,E | 2B24 | 0.72 | ![]() |
IND![]() | INDOLE | A,B,C,D,E,F | 2P85 | 0.72 | ![]() |
DMZ![]() | 4-METHYL-N-METHYL-N-(2-PHENYL-2H- PYRAZOL-3-YL)BENZENESULFONAMIDE | A | 1N6B | 0.7 | ![]() |
H7J![]() | N-[(1S)-1-{1-[(1R,3E)-1-ACETYLPENT- 3-EN-1-YL]-1H-1,2,3-TRIAZOL-4-YL}- 1,2-DIMETHYLPROPYL]BENZAMIDE | A,B,C | 2HXZ | 0.7 | ![]() |
H7J![]() | N-[(1S)-1-{1-[(1R,3E)-1-ACETYLPENT- 3-EN-1-YL]-1H-1,2,3-TRIAZOL-4-YL}- 1,2-DIMETHYLPROPYL]BENZAMIDE | A,B | 2H7J | 0.7 | ![]() |
580![]() | 3-(4-FLUOROPHENYL)-2-(6-METHYLPYRIDIN- 2-YL)-5,6-DIHYDRO-4H-PYRROLO[1,2- B]PYRAZOLE | A | 1RW8 | 0.78 | ![]() |
GG5![]() | 4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL- 4-YL]PYRIDINE | A | 3HVC | 0.83 | ![]() |
19A![]() | N,N-DIMETHYL-4-(4-PHENYL-1H-PYRAZOL- 3-YL)-1H-PYRROLE-2-CARBOXAMIDE | A | 2OJG | 0.71 | ![]() |
RW1![]() | 4-phenylpyrimidine | A,B,C | 3B9S | 0.72 | ![]() |
LZ1![]() | 1H-indazole | A,B | 3E6I | 0.77 | ![]() |
LZ1![]() | 1H-indazole | A | 2VTA | 0.77 | ![]() |
P19![]() | N,N'-DIPHENYLPYRAZOLO[1,5-A][1,3,5]TRIAZINE- 2,4-DIAMINE | A | 2PVH | 0.7 | ![]() |
MQ0![]() | (3-AMINOMETHYL-CINNOLIN-4-YL)-(3,3- DIPHENYL-ALLYLIDENE)-AMINE | A,B,C | 3STD | 0.72 | ![]() |
278![]() | 1-(1-methyl-1H-pyrrol-2-yl)methanamine | X | 2RBV | 0.73 | ![]() |
L02![]() | 4-[3-(4-CHLOROPHENYL)-1H-PYRAZOL- 5-YL]PIPERIDINE | B,I | 1WAY | 0.72 | ![]() |
TSH![]() | 2-(1H-INDOL-3-YL)ETHANIMINE | D,H | 2AGY | 0.73 | ![]() |
TSH![]() | 2-(1H-INDOL-3-YL)ETHANIMINE | D,H | 2AH0 | 0.73 | ![]() |
TSH![]() | 2-(1H-INDOL-3-YL)ETHANIMINE | D,H | 2AGX | 0.73 | ![]() |
5NI![]() | 5-NITROINDAZOLE | A,B | 1M8I | 0.71 | ![]() |
5NI![]() | 5-NITROINDAZOLE | A,B | 1M9Q | 0.71 | ![]() |
6NI![]() | 6-NITROINDAZOLE | A,B | 1M8H | 0.71 | ![]() |
6NI![]() | 6-NITROINDAZOLE | A,B | 1M9M | 0.71 | ![]() |
UN3![]() | (2-METHYL-5-PHENYL-2H-PYRAZOL-3- YL)-SULFAMIC ACID | A | 2F6W | 0.79 | ![]() |
SCF![]() | 5-(2-fluorophenyl)-N-(pyridin-4- ylmethyl)pyrazolo[1,5-a]pyrimidin- 7-amine | A | 2R3I | 0.72 | ![]() |
SCJ![]() | 3-bromo-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5- a]pyrimidin-7-amine | A | 2R3J | 0.71 | ![]() |
11X![]() | N-(pyridin-3-ylmethyl)aniline | A | 3EJ0 | 0.74 | ![]() |
L15![]() | 2-[4-(3-METHYL-1H-PYRAZOL-4-YL)PHENYL]ETHANAMINE | A | 2UW4 | 0.82 | ![]() |
LL1![]() | 3-pyridin-4-yl-1H-indazole | A | 3DNE | 0.79 | ![]() |
GVG![]() | 3-METHYL-4-PHENYL-1H-PYRAZOLE | A | 2UW3 | 0.83 | ![]() |
SM5![]() | (1E)-5-(1-piperidin-4-yl-3-pyridin- 4-yl-1H-pyrazol-4-yl)-2,3-dihydro- 1H-inden-1-one oxime | A,B | 3D4Q | 0.78 | ![]() |
PY1![]() | 4-(3-PYRIDIN-2-YL-1H-PYRAZOL-4- YL)QUINOLINE | A | 1PY5 | 0.79 | ![]() |
6SC![]() | 3-bromo-5-phenyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5- a]pyrimidin-7-amine | A | 2R3R | 0.71 | ![]() |
LIG![]() | 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2- .C.]PYRAZOLE | P | 1JVP | 0.79 | ![]() |
CEL![]() | 4-[5-(4-METHYLPHENYL)-3-(TRIFLUOROMETHYL)- 1H-PYRAZOL-1-YL]BENZENESULFONAMIDE | A | 1OQ5 | 0.71 | ![]() |
NOW![]() | Nalpha-[(3-tert-butyl-1-methyl- 1H-pyrazol-5-yl)carbonyl]-N-[(2Z)- 2-iminoethyl]-3-methyl-L-phenylalaninamide | A,B,C,D | 3HHA | 0.76 | ![]() |
NPM![]() | N-[(1E)-PYRIDIN-2-YLMETHYLENE]- N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE | A,B | 2ET0 | 0.7 | ![]() |
PIM![]() | 4-PHENYL-1H-IMIDAZOLE | A,B | 2D0T | 0.72 | ![]() |
PIM![]() | 4-PHENYL-1H-IMIDAZOLE | A | 1E9X | 0.72 | ![]() |
PIM![]() | 4-PHENYL-1H-IMIDAZOLE | A | 1PHD | 0.72 | ![]() |
PIM![]() | 4-PHENYL-1H-IMIDAZOLE | A,B,C,D | 2RFC | 0.72 | ![]() |
PIM![]() | 4-PHENYL-1H-IMIDAZOLE | A | 1ODO | 0.72 | ![]() |
PIM![]() | 4-PHENYL-1H-IMIDAZOLE | A | 3E5K | 0.72 | ![]() |
PIM![]() | 4-PHENYL-1H-IMIDAZOLE | A | 1PHE | 0.72 | ![]() |
PIM![]() | 4-PHENYL-1H-IMIDAZOLE | A,B | 1F4T | 0.72 | ![]() |
PIM![]() | 4-PHENYL-1H-IMIDAZOLE | A | 1S1F | 0.72 | ![]() |
PIM![]() | 4-PHENYL-1H-IMIDAZOLE | A | 1PHF | 0.72 | ![]() |
5BP![]() | N-cyclopropyl-4-pyrazolo[1,5-b]pyridazin- 3-ylpyrimidin-2-amine | A,C | 3EJ1 | 0.75 | ![]() |
ZZA![]() | 1-PHENYL-1H-PYRAZOLE-4-CARBOXYLIC ACID | A,B,D | 2VCW | 0.71 | ![]() |
NCT![]() | (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE | A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P,Q,R, S,T | 1UW6 | 0.77 | ![]() |
NCT![]() | (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE | A | 1P2Y | 0.77 | ![]() |
NCT![]() | (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE | A | 1P7R | 0.77 | ![]() |
P55![]() | 2-(4-ETHYLPIPERAZIN-1-YL)-4-(PHENYLAMINO)PYRAZOLO[1,5- A][1,3,5]TRIAZINE-8-CARBONITRILE | A | 2PVL | 0.7 | ![]() |
CLQ![]() | N4-(7-CHLORO-QUINOLIN-4-YL)-N1,N1- DIETHYL-PENTANE-1,4-DIAMINE | A | 1CET | 0.7 | ![]() |
P44![]() | 2-(CYCLOHEXYLMETHYLAMINO)-4-(PHENYLAMINO)PYRAZOLO[1,5- A][1,3,5]TRIAZINE-8-CARBONITRILE | A | 2PVJ | 0.73 | ![]() |