Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02699085
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 |
BEP![]() | 1-ISOBUTOXY-2-PYRROLIDINO-3[N-BENZYLANILINO] PROPANE | C | 1LXF | 0.8 | ![]() |
BEP![]() | 1-ISOBUTOXY-2-PYRROLIDINO-3[N-BENZYLANILINO] PROPANE | A | 1DTL | 0.8 | ![]() |
AU4![]() | 4,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE) | A | 2PYZ | 0.73 | ![]() |
SC5![]() | 2-[((R)-{[4-(AMINOMETHYL)PHENYL]AMINO}{[(1R)- 1-PHENYLETHYL]AMINO}METHYL)AMINO]ETHANE- 1,1-DIOL | H | 1YNK | 0.7 | ![]() |
EBW![]() | 4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}- 3-OXOPENTYL)-N,N-DIMETHYL-N-PROP- 2-ENYLBENZENAMINIUM | A | 1E3Q | 0.72 | ![]() |
CVI![]() | CRYSTAL VIOLET | A,B,D,E | 1JTX | 0.77 | ![]() |
5CY![]() | N,N'-(dipropyl)-tetramethylindodicarbocyanine | C | 3BEP | 0.7 | ![]() |
MGR![]() | MALACHITE GREEN | A,B | 3BQZ | 0.77 | ![]() |
MGR![]() | MALACHITE GREEN | A | 1Q8N | 0.77 | ![]() |
MGR![]() | MALACHITE GREEN | A,B | 3BR0 | 0.77 | ![]() |
MGR![]() | MALACHITE GREEN | A,D,E | 3BTL | 0.77 | ![]() |
MGR![]() | MALACHITE GREEN | A,B,D,E | 3BTC | 0.77 | ![]() |
MGR![]() | MALACHITE GREEN | A,B,D,E | 1JUP | 0.77 | ![]() |
UFO![]() | 1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin- 6-yl)methanamine | A,B,D | 3GQT | 0.7 | ![]() |
IXX![]() | 3-(5H-DIBENZO[B,F]AZEPIN-5-YL)- N,N-DIMETHYLPROPAN-1-AMINE | A | 2Q72 | 0.72 | ![]() |
NPM![]() | N-[(1E)-PYRIDIN-2-YLMETHYLENE]- N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE | A,B | 2ET0 | 0.72 | ![]() |