Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01890064
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 |
5MP![]() | 5-METHYLPYRROLE | A | 1LI6 | 0.72 | ![]() |
TPL![]() | TRYPTOPHANOL | A | 1EE7 | 0.73 | ![]() |
6IP![]() | 6-[2-(1H-INDOL-6-YL)ETHYL]PYRIDIN- 2-AMINE | A | 2OHP | 0.71 | ![]() |
3AP![]() | 3-AMINOPYRIDINE | A | 1AEF | 0.72 | ![]() |
TSH![]() | 2-(1H-INDOL-3-YL)ETHANIMINE | D,H | 2AGY | 0.8 | ![]() |
TSH![]() | 2-(1H-INDOL-3-YL)ETHANIMINE | D,H | 2AH0 | 0.8 | ![]() |
TSH![]() | 2-(1H-INDOL-3-YL)ETHANIMINE | D,H | 2AGX | 0.8 | ![]() |
517![]() | 1-{2-OXO-3-[(1R)-1-(1H-PYRROL-2- YL)ETHYL]-2H-INDOL-5-YL}UREA | A | 2PE1 | 0.71 | ![]() |
MIL![]() | MILRINONE | A,B | 1TLM | 0.7 | ![]() |
047![]() | 1-CYCLOHEXYL-N-{[1-(4-METHYLPHENYL)- 1H-INDOL-3-YL]METHYL}METHANAMINE | A,B | 2PJL | 0.72 | ![]() |
GG5![]() | 4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL- 4-YL]PYRIDINE | A | 3HVC | 0.71 | ![]() |
PBG![]() | 3-[5-(AMINOMETHYL)-4-(CARBOXYMETHYL)- 1H-PYRROL-3-YL]PROPANOIC ACID | A,B | 1E51 | 0.76 | ![]() |
PBG![]() | 3-[5-(AMINOMETHYL)-4-(CARBOXYMETHYL)- 1H-PYRROL-3-YL]PROPANOIC ACID | A | 1OHL | 0.76 | ![]() |
11X![]() | N-(pyridin-3-ylmethyl)aniline | A | 3EJ0 | 0.76 | ![]() |
APY![]() | 2-AMINOMETHYL-PYRIDINE | A,B,I | 1HIV | 0.72 | ![]() |
APY![]() | 2-AMINOMETHYL-PYRIDINE | I | 1IVP | 0.72 | ![]() |
PZZ![]() | 3-{3-[(DIMETHYLAMINO)METHYL]-1H- INDOL-7-YL}PROPAN-1-OL | A | 2QHW | 0.72 | ![]() |
PIM![]() | 4-PHENYL-1H-IMIDAZOLE | A,B | 2D0T | 0.71 | ![]() |
PIM![]() | 4-PHENYL-1H-IMIDAZOLE | A | 1E9X | 0.71 | ![]() |
PIM![]() | 4-PHENYL-1H-IMIDAZOLE | A | 1PHD | 0.71 | ![]() |
PIM![]() | 4-PHENYL-1H-IMIDAZOLE | A,B,C,D | 2RFC | 0.71 | ![]() |
PIM![]() | 4-PHENYL-1H-IMIDAZOLE | A | 1ODO | 0.71 | ![]() |
PIM![]() | 4-PHENYL-1H-IMIDAZOLE | A | 3E5K | 0.71 | ![]() |
PIM![]() | 4-PHENYL-1H-IMIDAZOLE | A | 1PHE | 0.71 | ![]() |
PIM![]() | 4-PHENYL-1H-IMIDAZOLE | A,B | 1F4T | 0.71 | ![]() |
PIM![]() | 4-PHENYL-1H-IMIDAZOLE | A | 1S1F | 0.71 | ![]() |
PIM![]() | 4-PHENYL-1H-IMIDAZOLE | A | 1PHF | 0.71 | ![]() |
IND![]() | INDOLE | A | 1L4H | 0.78 | ![]() |
IND![]() | INDOLE | A,B,G | 1O7N | 0.78 | ![]() |
IND![]() | INDOLE | A | 185L | 0.78 | ![]() |
IND![]() | INDOLE | A,B | 1EG9 | 0.78 | ![]() |
IND![]() | INDOLE | A,B | 1UUV | 0.78 | ![]() |
IND![]() | INDOLE | A,C,E | 2B24 | 0.78 | ![]() |
IND![]() | INDOLE | A,B,C,D,E,F | 2P85 | 0.78 | ![]() |
L12![]() | 3-(2-PYRIDIN-4-YLETHYL)-1H-INDOLE | A | 1W84 | 0.78 | ![]() |
2MI![]() | 2-METHYL-1H-INDOLE | A | 2PIO | 0.71 | ![]() |
IPL![]() | INDOLE-3-PROPANOL PHOSPHATE | A,B | 1BEU | 0.71 | ![]() |
IPL![]() | INDOLE-3-PROPANOL PHOSPHATE | A,B | 1QOP | 0.71 | ![]() |
IPL![]() | INDOLE-3-PROPANOL PHOSPHATE | A,B | 2TRS | 0.71 | ![]() |
IPL![]() | INDOLE-3-PROPANOL PHOSPHATE | A | 1WXJ | 0.71 | ![]() |
IPL![]() | INDOLE-3-PROPANOL PHOSPHATE | A,B | 1KFC | 0.71 | ![]() |
5IQ![]() | ISOQUINOLIN-5-AMINE | A,B | 2F2T | 0.72 | ![]() |
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 | 0.74 | ![]() |
NCT![]() | (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE | A | 1P2Y | 0.74 | ![]() |
NCT![]() | (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE | A | 1P7R | 0.74 | ![]() |
TSR![]() | 2-(1H-INDOL-3-YL)ACETAMIDE | D,H | 2OJY | 0.73 | ![]() |
TSR![]() | 2-(1H-INDOL-3-YL)ACETAMIDE | A,D,H | 2OIZ | 0.73 | ![]() |
NTN![]() | ISONICOTINAMIDINE | A | 7ADH | 0.7 | ![]() |
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 | 0.7 | ![]() |
TSS![]() | 2-(1H-INDOL-3-YL)ETHANAMINE | A,B,D,H | 2IUQ | 0.8 | ![]() |
TSS![]() | 2-(1H-INDOL-3-YL)ETHANAMINE | A,B | 2FPB | 0.8 | ![]() |
TSS![]() | 2-(1H-INDOL-3-YL)ETHANAMINE | D,H | 2AGW | 0.8 | ![]() |
TSS![]() | 2-(1H-INDOL-3-YL)ETHANAMINE | A | 2PQL | 0.8 | ![]() |
3IB![]() | 3-INDOLEBUTYRIC ACID | A,B | 2AY6 | 0.7 | ![]() |
3IB![]() | 3-INDOLEBUTYRIC ACID | A,B,C,E | 2GJ6 | 0.7 | ![]() |
278![]() | 1-(1-methyl-1H-pyrrol-2-yl)methanamine | X | 2RBV | 0.78 | ![]() |
3MP![]() | 3-METHYLPYRIDINE | A | 1EUB | 0.71 | ![]() |
3MP![]() | 3-METHYLPYRIDINE | A | 1BM6 | 0.71 | ![]() |
TSC![]() | (1S)-1-AMINO-2-(1H-INDOL-3-YL)ETHANOL | D,H | 2AH0 | 0.72 | ![]() |
TSC![]() | (1S)-1-AMINO-2-(1H-INDOL-3-YL)ETHANOL | D,H | 2AGZ | 0.72 | ![]() |
EPJ![]() | EPIBATIDINE | A,B,C,D,E | 2BYQ | 0.7 | ![]() |
286![]() | 2-ethenyl-1-methylpyridinium | X | 2RC2 | 0.7 | ![]() |
LTN![]() | L-TRYPTOPHANAMIDE | A | 1MAU | 0.73 | ![]() |
LTN![]() | L-TRYPTOPHANAMIDE | A,B | 2QUI | 0.73 | ![]() |
4AP![]() | 4-AMINOPYRIDINE | A | 1AEG | 0.73 | ![]() |