Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00287180
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 |
MIB | (3E)-4-(1-METHYL-1H-INDOL-3-YL)BUT- 3-EN-2-ONE | A | 1ZS5 | 0.71 | |
TOX | 2-AMINO-3-(1-HYDROPEROXY-1H-INDOL- 3-YL)PROPAN-1-OL | A,B | 2DV2 | 0.74 | |
TOX | 2-AMINO-3-(1-HYDROPEROXY-1H-INDOL- 3-YL)PROPAN-1-OL | A,B | 2FXJ | 0.74 | |
275 | 5-amino-1,2-dimethylpyridinium | X | 2RBW | 0.72 | |
APY | 2-AMINOMETHYL-PYRIDINE | A,B,I | 1HIV | 0.72 | |
APY | 2-AMINOMETHYL-PYRIDINE | I | 1IVP | 0.72 | |
OBI | 1,1'-(OXYDIMETHYLENE)BIS(4-FORMYLPYRIDINIUM)DIOXIME | A,B | 2GYW | 0.72 | |
N5P | 1-{2-DEOXY-5-O-[(R)-HYDROXY{[(R)- HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}PHOSPHORYL]- BETA-D-ERYTHRO-PENTOFURANOSYL}- 5-NITRO-1H-INDOLE | A,P,T | 2OZM | 0.74 | |
N5P | 1-{2-DEOXY-5-O-[(R)-HYDROXY{[(R)- HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}PHOSPHORYL]- BETA-D-ERYTHRO-PENTOFURANOSYL}- 5-NITRO-1H-INDOLE | A,C,E,F,I,J,K | 2OYQ | 0.74 | |
SB9 | HYDROXY[3-(6-METHYLPYRIDIN-2-YL)PROPYL]FORMAMIDE | P | 2AIE | 0.71 | |
286 | 2-ethenyl-1-methylpyridinium | X | 2RC2 | 0.76 | |
278 | 1-(1-methyl-1H-pyrrol-2-yl)methanamine | X | 2RBV | 0.75 | |
IMQ | (2R,3R,4S)-2-(hydroxymethyl)-1- (quinolin-8-ylmethyl)pyrrolidine- 3,4-diol | A,B | 3EPX | 0.72 | |
3B3 | (2S)-1-AMINO-3-[(5-NITROQUINOLIN- 8-YL)AMINO]PROPAN-2-OL | A | 2CGV | 0.72 | |
HBP | 1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIME | A,B | 2GYV | 0.77 | |
HBP | 1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIME | A,B | 2JF0 | 0.77 | |
TPL | TRYPTOPHANOL | A | 1EE7 | 0.71 | |
N5I | 1-(2-DEOXY-5-O-PHOSPHONO-BETA-D- ERYTHRO-PENTOFURANOSYL)-5-NITRO- 1H-INDOLE | A,C,E,F,I,J,K | 2OYQ | 0.75 | |
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 | 0.7 | |
NCT | (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE | A | 1P2Y | 0.7 | |
NCT | (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE | A | 1P7R | 0.7 |