Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03922591
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 |
DXA | 1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1- METHOXY-2-OXY-3,4-DIHYDROXYPENTYL)- 8,9-DIHYDROXY-7-(SEC-BUTYL)-ANTHRACENE | A,B | 1CP8 | 0.7 |  |
DXB | 1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1- METHOXY-2-OXY-3,4-DIHYDROXYPENTYL)- 8,9-DIHYDROXY-7-METHYL-ANTHRACENE | A,B | 1BP8 | 0.7 | |
D2C | (2S,4S,4AR,5AS,6S,11R,11AS,12R,12AR)- 7-CHLORO-4-(DIMETHYLAMINO)-6,10,11,12- TETRAHYDROXY-1,3-DIOXO-1,2,3,4,4A,5,5A,6,11,11A,12,12A- DODECAHYDROTETRACENE-2-CARBOXAMIDE | A,D,M,N,Z | 2F4V | 0.8 | |
MIY | (4S,4AS,5AR,12AS)-4,7-BIS(DIMETHYLAMINO)- 3,10,12,12A-TETRAHYDROXY-1,11-DIOXO- 1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE- 2-CARBOXAMIDE | A | 2DRD | 0.74 | |
TDC | 5A,6-ANHYDROTETRACYCLINE | A | 2VKV | 0.92 | |
| TDC | 5A,6-ANHYDROTETRACYCLINE | A | 2VPR | 0.92 | |
CTC | 7-CHLOROTETRACYCLINE | A | 1BJ0 | 0.87 | |
| CTC | 7-CHLOROTETRACYCLINE | A,B | 1BJY | 0.87 | |
| CTC | 7-CHLOROTETRACYCLINE | A | 2FJ1 | 0.87 | |
| CTC | 7-CHLOROTETRACYCLINE | A | 1DU7 | 0.87 | |
| CTC | 7-CHLOROTETRACYCLINE | A,B | 3EGZ | 0.87 | |
| CTC | 7-CHLOROTETRACYCLINE | A | 2TCT | 0.87 | |
DXT | (4S,4AR,5S,5AR,6R,12AS)-4-(DIMETHYLAMINO)- 3,5,10,12,12A-PENTAHYDROXY-6-METHYL- 1,11-DIOXO-1,4,4A,5,5A,6,11,12A- OCTAHYDROTETRACENE-2-CARBOXAMIDE | A | 2O7O | 0.8 | |
CPB | 2-(2-CHLORO-PHENYL)-5,7-DIHYDROXY- 8-(3-HYDROXY-1-METHYL-PIPERIDIN- 4-YL)-4H-BENZOPYRAN-4-ONE | A | 1E1Y | 0.71 | |
| CPB | 2-(2-CHLORO-PHENYL)-5,7-DIHYDROXY- 8-(3-HYDROXY-1-METHYL-PIPERIDIN- 4-YL)-4H-BENZOPYRAN-4-ONE | A,B | 3BLR | 0.71 | |
| CPB | 2-(2-CHLORO-PHENYL)-5,7-DIHYDROXY- 8-(3-HYDROXY-1-METHYL-PIPERIDIN- 4-YL)-4H-BENZOPYRAN-4-ONE | A | 1C8K | 0.71 | |
TAC | TETRACYCLINE | A,B,C,D,E,F, G,H,I,J,K,L | 2HDN | 0.8 | |
| TAC | TETRACYCLINE | A | 2VKE | 0.8 | |
| TAC | TETRACYCLINE | A | 2TRT | 0.8 | |
| TAC | TETRACYCLINE | B | 2UXO | 0.8 | |
| TAC | TETRACYCLINE | A,B,D,E,G,H, J,K,L,N,P,Q, R,T | 1I97 | 0.8 | |
| TAC | TETRACYCLINE | A,D,H,N | 1HNW | 0.8 | |
| TAC | TETRACYCLINE | A,B | 2HCJ | 0.8 | |
TNC | 4-DIMETHYLAMINO-1,10,11,12-TETRAHYDROXY- 3-OXO-3,4,4A,5-TETRAHYDRO-NAPHTHACENE- 2-CARBOXYLIC ACID AMIDE | A,B | 1N5Q | 0.79 | |
CRH | 1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1- METHOXY-2-OXY-3,4-DIHYDROXYPENTYL)- 8,9-DIHYROXY-7-METHYLANTHRACENE | A,B | 146D | 0.7 | |
| CRH | 1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1- METHOXY-2-OXY-3,4-DIHYDROXYPENTYL)- 8,9-DIHYROXY-7-METHYLANTHRACENE | A,B | 207D | 0.7 | |