Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03007228
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 |
DEQ | DEQUALINIUM | A,B,D,E | 1JT6 | 0.71 | |
DEQ | DEQUALINIUM | A,B,D,E | 3BR2 | 0.71 | |
DEQ | DEQUALINIUM | A | 1OYD | 0.71 | |
DEQ | DEQUALINIUM | A,B,D,E | 3BT9 | 0.71 | |
DEQ | DEQUALINIUM | A,B,D,E | 3BTJ | 0.71 | |
DEQ | DEQUALINIUM | A,B,D,E | 3BR1 | 0.71 | |
EBW | 4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}- 3-OXOPENTYL)-N,N-DIMETHYL-N-PROP- 2-ENYLBENZENAMINIUM | A | 1E3Q | 0.74 | |
DSM | 3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN- 5-YL)-N-METHYLPROPAN-1-AMINE | A | 2QJU | 0.75 | |
DSM | 3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN- 5-YL)-N-METHYLPROPAN-1-AMINE | A | 2QB4 | 0.75 | |
DR1 | 5-METHYL-5H-INDOLO[3,2-B]QUINOLINE | A | 1K9G | 0.83 | |
1PC | 1-(PHENYL-1-CYCLOHEXYL)PIPERIDINE | B,C | 2PCP | 0.72 | |
IXX | 3-(5H-DIBENZO[B,F]AZEPIN-5-YL)- N,N-DIMETHYLPROPAN-1-AMINE | A | 2Q72 | 0.79 | |
TFP | 10-[3-(4-METHYL-PIPERAZIN-1-YL)- PROPYL]-2-TRIFLUOROMETHYL-10H-PHENOTHIAZINE | A,B | 1WRK | 0.78 | |
TFP | 10-[3-(4-METHYL-PIPERAZIN-1-YL)- PROPYL]-2-TRIFLUOROMETHYL-10H-PHENOTHIAZINE | A | 1CTR | 0.78 | |
TFP | 10-[3-(4-METHYL-PIPERAZIN-1-YL)- PROPYL]-2-TRIFLUOROMETHYL-10H-PHENOTHIAZINE | A,B,C,D,E,F | 1WRL | 0.78 | |
TFP | 10-[3-(4-METHYL-PIPERAZIN-1-YL)- PROPYL]-2-TRIFLUOROMETHYL-10H-PHENOTHIAZINE | A | 1A29 | 0.78 | |
TFP | 10-[3-(4-METHYL-PIPERAZIN-1-YL)- PROPYL]-2-TRIFLUOROMETHYL-10H-PHENOTHIAZINE | A | 1LIN | 0.78 | |
CVI | CRYSTAL VIOLET | A,B,D,E | 1JTX | 0.77 | |
BEP | 1-ISOBUTOXY-2-PYRROLIDINO-3[N-BENZYLANILINO] PROPANE | C | 1LXF | 0.73 | |
BEP | 1-ISOBUTOXY-2-PYRROLIDINO-3[N-BENZYLANILINO] PROPANE | A | 1DTL | 0.73 | |
UFO | 1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin- 6-yl)methanamine | A,B,D | 3GQT | 0.85 | |
F11 | N,N'-DI-1,2,3,4-TETRAHYDROACRIDIN- 9-YLPENTANE-1,5-DIAMINE | A | 2CMF | 0.7 | |
IDM | INDOLINE | A,B | 3CEP | 0.7 | |
IDM | INDOLINE | A | 1AEK | 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 | |
NPM | N-[(1E)-PYRIDIN-2-YLMETHYLENE]- N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE | A,B | 2ET0 | 0.7 | |
A8B | A | 1ODC | 0.79 | ||
AU4 | 4,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE) | A | 2PYZ | 0.79 | |
CXX | 3-(3-CHLORO-5H-DIBENZO[B,F]AZEPIN- 5-YL)-N,N-DIMETHYLPROPAN-1-AMINE | A | 2Q6H | 0.72 | |
CXX | 3-(3-CHLORO-5H-DIBENZO[B,F]AZEPIN- 5-YL)-N,N-DIMETHYLPROPAN-1-AMINE | A | 2QEI | 0.72 | |
AEJ | (1S)-1-{4-[(9AR)-OCTAHYDRO-2H-PYRIDO[1,2- A]PYRAZIN-2-YL]PHENYL}-2-PHENYL- 1,2,3,4-TETRAHYDROISOQUINOLIN-6- OL | A,B,C,D | 1XQC | 0.71 |