Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02858420
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 |
AU4 | 4,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE) | A | 2PYZ | 0.84 | |
34A | 3,4-DIMETHYLANILINE | A | 1L4K | 0.74 | |
264 | (phenylamino)acetonitrile | A | 2RBN | 0.8 | |
12Q | 1-METHYLQUINOLIN-2(1H)-ONE | A,B | 2F64 | 0.72 | |
5CY | N,N'-(dipropyl)-tetramethylindodicarbocyanine | C | 3BEP | 0.71 | |
A8B | A | 1ODC | 0.75 | ||
1MR | N-METHYLANILINE | X | 2OTZ | 0.77 | |
271 | N-methyl-1-phenylmethanamine | X | 2RBT | 0.71 | |
150 | 4,5-DIMETHYL-1,2-PHENYLENEDIAMINE | A | 1L4F | 0.72 | |
2MI | 2-METHYL-1H-INDOLE | A | 2PIO | 0.71 | |
468 | (3S)-N-(3-CHLORO-2-METHYLPHENYL)- 1-CYCLOHEXYL-5-OXOPYRROLIDINE-3- CARBOXAMIDE | A | 2H7P | 0.71 | |
BEP | 1-ISOBUTOXY-2-PYRROLIDINO-3[N-BENZYLANILINO] PROPANE | C | 1LXF | 0.74 | |
BEP | 1-ISOBUTOXY-2-PYRROLIDINO-3[N-BENZYLANILINO] PROPANE | A | 1DTL | 0.74 | |
566 | (3S)-1-CYCLOHEXYL-5-OXO-N-PHENYLPYRROLIDINE- 3-CARBOXAMIDE | A | 2H7I | 0.73 | |
AFF | 2-ACETYLAMINOFLUORENE-3-YL | A | 2GE2 | 0.73 | |
744 | (3S)-N-(5-CHLORO-2-METHYLPHENYL)- 1-CYCLOHEXYL-5-OXOPYRROLIDINE-3- CARBOXAMIDE | A | 2H7N | 0.71 | |
ANI | 4-TRIFLUOROMETHYLANILINE | E,I | 1ELE | 0.71 | |
ANI | 4-TRIFLUOROMETHYLANILINE | E,I | 7EST | 0.71 | |
ANI | 4-TRIFLUOROMETHYLANILINE | E,I | 2EST | 0.71 | |
ANI | 4-TRIFLUOROMETHYLANILINE | E,I | 1ELD | 0.71 | |
171 | 2-PHENYLAMINO-ETHANESULFONIC ACID | A,B | 1SXG | 0.7 | |
34T | (3R)-8-(dioxidosulfanyl)-3-methyl- 1,2,3,4-tetrahydroquinoline | H | 1ETR | 0.7 |