Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02181207
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 |
NAF![]() | M-(N,N,N-TRIMETHYLAMMONIO)-2,2,2- TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE | A | 1AMN | 0.77 | ![]() |
NAF![]() | M-(N,N,N-TRIMETHYLAMMONIO)-2,2,2- TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE | A,B | 2H9Y | 0.77 | ![]() |
5CY![]() | N,N'-(dipropyl)-tetramethylindodicarbocyanine | C | 3BEP | 0.79 | ![]() |
CBL![]() | CHLORAMBUCIL | A,B | 3CSJ | 0.7 | ![]() |
BEP![]() | 1-ISOBUTOXY-2-PYRROLIDINO-3[N-BENZYLANILINO] PROPANE | C | 1LXF | 0.71 | ![]() |
BEP![]() | 1-ISOBUTOXY-2-PYRROLIDINO-3[N-BENZYLANILINO] PROPANE | A | 1DTL | 0.71 | ![]() |
PIR![]() | 2-(4-AMINO-PHENYL)-5-HYDROXYMETHYL- PYRROLIDINE-3,4-DIOL | A,B,C,D | 2MAS | 0.74 | ![]() |
AJM![]() | AJMALINE | A,B,C,D | 3CBI | 0.73 | ![]() |
AJM![]() | AJMALINE | A | 3FG5 | 0.73 | ![]() |
AJM![]() | AJMALINE | A | 1ZR8 | 0.73 | ![]() |
AJM![]() | AJMALINE | A | 2QUE | 0.73 | ![]() |
SOA![]() | ISATOIC ANHYDRIDE | A | 1BIO | 0.72 | ![]() |
IXX![]() | 3-(5H-DIBENZO[B,F]AZEPIN-5-YL)- N,N-DIMETHYLPROPAN-1-AMINE | A | 2Q72 | 0.7 | ![]() |
DR1![]() | 5-METHYL-5H-INDOLO[3,2-B]QUINOLINE | A | 1K9G | 0.73 | ![]() |
44B![]() | 1,1,1,3,3,3-HEXAFLUORO-2-{4-[(2,2,2- TRIFLUOROETHYL)AMINO]PHENYL}PROPAN- 2-OL | A,B,C,D | 1PQ9 | 0.73 | ![]() |
IDM![]() | INDOLINE | A,B | 3CEP | 0.77 | ![]() |
IDM![]() | INDOLINE | A | 1AEK | 0.77 | ![]() |