Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03210571
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 | 0.74 | |
WSK | (2S)-1-(3,6-DIBROMO-9H-CARBAZOL- 9-YL)-3-(DIMETHYLAMINO)PROPAN-2- OL | A | 1T84 | 0.7 | |
EBW | 4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}- 3-OXOPENTYL)-N,N-DIMETHYL-N-PROP- 2-ENYLBENZENAMINIUM | A | 1E3Q | 0.73 | |
CVI | CRYSTAL VIOLET | A,B,D,E | 1JTX | 0.79 | |
T5C | 2-{(1E,3Z,5E,7E)-7-[3,3-DIMETHYL- 5-SULFO-1-(2-SULFOETHYL)-1,3-DIHYDRO- 2H-INDOL-2-YLIDENE]-4-METHYLHEPTA- 1,3,5-TRIEN-1-YL}-3,3-DIMETHYL- 5-SULFO-1-(2-SULFOETHYL)-3H-INDOLIUM | B,H | 2JB6 | 0.74 | |
T5C | 2-{(1E,3Z,5E,7E)-7-[3,3-DIMETHYL- 5-SULFO-1-(2-SULFOETHYL)-1,3-DIHYDRO- 2H-INDOL-2-YLIDENE]-4-METHYLHEPTA- 1,3,5-TRIEN-1-YL}-3,3-DIMETHYL- 5-SULFO-1-(2-SULFOETHYL)-3H-INDOLIUM | H | 2JB5 | 0.74 | |
SC5 | 2-[((R)-{[4-(AMINOMETHYL)PHENYL]AMINO}{[(1R)- 1-PHENYLETHYL]AMINO}METHYL)AMINO]ETHANE- 1,1-DIOL | H | 1YNK | 0.73 | |
MGR | MALACHITE GREEN | A,B | 3BQZ | 0.79 | |
MGR | MALACHITE GREEN | A | 1Q8N | 0.79 | |
MGR | MALACHITE GREEN | A,B | 3BR0 | 0.79 | |
MGR | MALACHITE GREEN | A,D,E | 3BTL | 0.79 | |
MGR | MALACHITE GREEN | A,B,D,E | 3BTC | 0.79 | |
MGR | MALACHITE GREEN | A,B,D,E | 1JUP | 0.79 | |
5CY | N,N'-(dipropyl)-tetramethylindodicarbocyanine | C | 3BEP | 0.91 | |
BEP | 1-ISOBUTOXY-2-PYRROLIDINO-3[N-BENZYLANILINO] PROPANE | C | 1LXF | 0.75 | |
BEP | 1-ISOBUTOXY-2-PYRROLIDINO-3[N-BENZYLANILINO] PROPANE | A | 1DTL | 0.75 | |
IXX | 3-(5H-DIBENZO[B,F]AZEPIN-5-YL)- N,N-DIMETHYLPROPAN-1-AMINE | A | 2Q72 | 0.74 | |
LG8 | 3-(8-DIMETHYLAMINOMETHYL-6,7,8,9- TETRAHYDRO-PYRIDO[1,2-A]INDOL-10- YL)-4-(1-METHYL-1H-INDOL-3-YL)- PYRROLE-2,5-DIONE | A,B | 2JED | 0.71 | |
3LP | 1-(CYCLOHEXYLAMINO)-3-(6-METHYL- 3,4-DIHYDRO-1H-CARBAZOL-9(2H)-YL)PROPAN- 2-OL | A,B,C,D,E,F | 2P6G | 0.73 | |
DSM | 3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN- 5-YL)-N-METHYLPROPAN-1-AMINE | A | 2QJU | 0.71 | |
DSM | 3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN- 5-YL)-N-METHYLPROPAN-1-AMINE | A | 2QB4 | 0.71 |