Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00111811
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 |
P83![]() | 1-(9-ethyl-9H-carbazol-3-yl)-N- methylmethanamine | A,B | 2VUK | 0.74 | ![]() |
23M![]() | 2-(3-METHYLPHENYL)-1H-INDOLE-5- CARBOXIMIDAMIDE | A | 2G5N | 0.71 | ![]() |
POR![]() | PORPHYRIN FE(III) | A | 2CMM | 0.72 | ![]() |
2MI![]() | 2-METHYL-1H-INDOLE | A | 2PIO | 0.75 | ![]() |
DAP![]() | 6-AMIDINE-2-(4-AMIDINO-PHENYL)INDOLE | A | 1D30 | 0.7 | ![]() |
DAP![]() | 6-AMIDINE-2-(4-AMIDINO-PHENYL)INDOLE | A | 432D | 0.7 | ![]() |
047![]() | 1-CYCLOHEXYL-N-{[1-(4-METHYLPHENYL)- 1H-INDOL-3-YL]METHYL}METHANAMINE | A,B | 2PJL | 0.71 | ![]() |
286![]() | 2-ethenyl-1-methylpyridinium | X | 2RC2 | 0.74 | ![]() |
MI2![]() | 2-(2-METHYLPHENYL)-1H-INDOLE-5- CARBOXIMIDAMIDE | A | 2G8T | 0.7 | ![]() |
275![]() | 5-amino-1,2-dimethylpyridinium | X | 2RBW | 0.71 | ![]() |
DEQ![]() | DEQUALINIUM | A,B,D,E | 1JT6 | 0.7 | ![]() |
DEQ![]() | DEQUALINIUM | A,B,D,E | 3BR2 | 0.7 | ![]() |
DEQ![]() | DEQUALINIUM | A | 1OYD | 0.7 | ![]() |
DEQ![]() | DEQUALINIUM | A,B,D,E | 3BT9 | 0.7 | ![]() |
DEQ![]() | DEQUALINIUM | A,B,D,E | 3BTJ | 0.7 | ![]() |
DEQ![]() | DEQUALINIUM | A,B,D,E | 3BR1 | 0.7 | ![]() |
THA![]() | TACRINE | A,B | 2AOW | 0.7 | ![]() |
THA![]() | TACRINE | A,B,C,D,E,F | 1MX1 | 0.7 | ![]() |
THA![]() | TACRINE | A,B | 2AOX | 0.7 | ![]() |
THA![]() | TACRINE | A | 1ACJ | 0.7 | ![]() |
9CA![]() | 9H-CARBAZOLE | A,B,C,D,E,F | 2DE7 | 0.71 | ![]() |
22M![]() | 2-(2-METHYLPHENYL)-1H-INDOLE-6- CARBOXIMIDAMIDE | A | 2G5V | 0.7 | ![]() |
278![]() | 1-(1-methyl-1H-pyrrol-2-yl)methanamine | X | 2RBV | 0.74 | ![]() |
PRL![]() | PROFLAVIN | H,I | 1BCU | 0.71 | ![]() |
PRL![]() | PROFLAVIN | A,B,D,E | 1QVT | 0.71 | ![]() |
PRL![]() | PROFLAVIN | A,B | 2KD4 | 0.71 | ![]() |
PRL![]() | PROFLAVIN | A | 1QVU | 0.71 | ![]() |
580![]() | 3-(4-FLUOROPHENYL)-2-(6-METHYLPYRIDIN- 2-YL)-5,6-DIHYDRO-4H-PYRROLO[1,2- B]PYRAZOLE | A | 1RW8 | 0.71 | ![]() |
RKA![]() | N,N'-(1H-PYRROLE-2,5-DIYLDI-4,1- PHENYLENE)DIBENZENECARBOXIMIDAMIDE | A | 2GYX | 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 | 0.7 | ![]() |
NCT![]() | (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE | A | 1P2Y | 0.7 | ![]() |
NCT![]() | (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE | A | 1P7R | 0.7 | ![]() |
HBP![]() | 1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIME | A,B | 2GYV | 0.7 | ![]() |
HBP![]() | 1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIME | A,B | 2JF0 | 0.7 | ![]() |