Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03779489
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 |
TAC | TETRACYCLINE | A,B,C,D,E,F, G,H,I,J,K,L | 2HDN | 0.77 |  |
| TAC | TETRACYCLINE | A | 2VKE | 0.77 | |
| TAC | TETRACYCLINE | A | 2TRT | 0.77 | |
| TAC | TETRACYCLINE | B | 2UXO | 0.77 | |
| TAC | TETRACYCLINE | A,B,D,E,G,H, J,K,L,N,P,Q, R,T | 1I97 | 0.77 | |
| TAC | TETRACYCLINE | A,D,H,N | 1HNW | 0.77 | |
| TAC | TETRACYCLINE | A,B | 2HCJ | 0.77 | |
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 | 0.78 | |
BIK | 3,7-DIHYDROXY-2-NAPHTHOIC ACID | A | 1U5A | 0.71 | |
| BIK | 3,7-DIHYDROXY-2-NAPHTHOIC ACID | A | 1U5C | 0.71 | |
TDC | 5A,6-ANHYDROTETRACYCLINE | A | 2VKV | 0.86 | |
| TDC | 5A,6-ANHYDROTETRACYCLINE | A | 2VPR | 0.86 | |
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 | 0.78 | |
DM8 | 2'-BROMO-4'-EPIDAUNORUBICIN | A | 276D | 0.72 | |
| DM8 | 2'-BROMO-4'-EPIDAUNORUBICIN | A | 288D | 0.72 | |
| DM8 | 2'-BROMO-4'-EPIDAUNORUBICIN | A | 277D | 0.72 | |
| DM8 | 2'-BROMO-4'-EPIDAUNORUBICIN | A,B | 380D | 0.72 | |
| DM8 | 2'-BROMO-4'-EPIDAUNORUBICIN | A,B | 381D | 0.72 | |
| DM8 | 2'-BROMO-4'-EPIDAUNORUBICIN | A | 278D | 0.72 | |
TNC | 4-DIMETHYLAMINO-1,10,11,12-TETRAHYDROXY- 3-OXO-3,4,4A,5-TETRAHYDRO-NAPHTHACENE- 2-CARBOXYLIC ACID AMIDE | A,B | 1N5Q | 0.77 | |
DM7 | 4'-DEOXY-4'-IODODOXORUBICIN | A | 1IMR | 0.74 | |
| DM7 | 4'-DEOXY-4'-IODODOXORUBICIN | A | 1IMS | 0.74 | |
AKT | 10-DECARBOXYMETHYLACLACINOMYCIN T (DCMAT) | A | 1Q0R | 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 | 0.72 | |
NOD | N-ETHYLHYDROXY-DOXORUBICIN | A | 385D | 0.71 | |
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 | 0.71 | |
DM3 | 6-DEOXYDAUNOMYCIN | A | 1D14 | 0.74 | |
AKV | {3-[(1R,3S)-1,3-DIHYDROXYPENTYL]- 4,5,9,10-TETRAHYDROXY-2-ANTHRYL}ACETATE | A,B,C,D | 2F99 | 0.71 | |
DM6 | 4'-EPIDOXORUBICIN | A | 1D15 | 0.74 | |
| DM6 | 4'-EPIDOXORUBICIN | A | 1D54 | 0.74 | |
| DM6 | 4'-EPIDOXORUBICIN | A | 1D58 | 0.74 | |
| DM6 | 4'-EPIDOXORUBICIN | A | 1QDA | 0.74 | |
DM2 | DOXORUBICIN | A | 2DR6 | 0.74 | |
| DM2 | DOXORUBICIN | A | 1P20 | 0.74 | |
| DM2 | DOXORUBICIN | A | 1I1E | 0.74 | |
| DM2 | DOXORUBICIN | A | 151D | 0.74 | |
| DM2 | DOXORUBICIN | A | 1D12 | 0.74 | |
| DM2 | DOXORUBICIN | A | 1DA9 | 0.74 | |
44D | 7-[5-(4-AMINO-5-HYDROXY-6-METHYL- TETRAHYDRO-PYRAN-2-YLOXY)-4-HYDROXY- 6-METHYL-TETRAHYDRO-PYRAN-2-YLOXY]- 6,9,11-TRIHYDROXY-9-(2-HYDROXY- ACETYL)-7,8,9,10-TETRAHYDRO-NAPHTHACENE- 5,12-DIONE | A,B | 1NAB | 0.74 | |
EMO | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A,B | 2RH4 | 0.74 | |
| EMO | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A,B | 3CSD | 0.74 | |
| EMO | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A,B | 2RHR | 0.74 | |
| EMO | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A | 1F0Q | 0.74 | |
| EMO | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A | 3C13 | 0.74 | |
| EMO | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A,B | 2RHC | 0.74 | |
| EMO | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A | 3BQC | 0.74 | |
DM1 | DAUNOMYCIN | A | 152D | 0.74 | |
| DM1 | DAUNOMYCIN | A,B,C,D | 1O0K | 0.74 | |
| DM1 | DAUNOMYCIN | A | 1JO2 | 0.74 | |
| DM1 | DAUNOMYCIN | A,B | 308D | 0.74 | |
| DM1 | DAUNOMYCIN | A | 1D33 | 0.74 | |
| DM1 | DAUNOMYCIN | A | 110D | 0.74 | |
| DM1 | DAUNOMYCIN | A | 1D11 | 0.74 | |
| DM1 | DAUNOMYCIN | A | 427D | 0.74 | |
| DM1 | DAUNOMYCIN | A | 2D34 | 0.74 | |
| DM1 | DAUNOMYCIN | A | 3F8F | 0.74 | |
| DM1 | DAUNOMYCIN | A | 1D10 | 0.74 | |
| DM1 | DAUNOMYCIN | A | 1DA0 | 0.74 | |
MNY | 5,8-DI-AMINO-1,4-DIHYDROXY-ANTHRAQUINONE | A | 1M2R | 0.72 | |
NGV | METHYL 5,7-DIHYDROXY-2-METHYL-4,6,11- TRIOXO-3,4,6,11-TETRAHYDROTETRACENE- 1-CARBOXYLATE | A,B,C,D | 2F98 | 0.71 | |
| NGV | METHYL 5,7-DIHYDROXY-2-METHYL-4,6,11- TRIOXO-3,4,6,11-TETRAHYDROTETRACENE- 1-CARBOXYLATE | A | 1SJW | 0.71 | |
CTC | 7-CHLOROTETRACYCLINE | A | 1BJ0 | 0.72 | |
| CTC | 7-CHLOROTETRACYCLINE | A,B | 1BJY | 0.72 | |
| CTC | 7-CHLOROTETRACYCLINE | A | 2FJ1 | 0.72 | |
| CTC | 7-CHLOROTETRACYCLINE | A | 1DU7 | 0.72 | |
| CTC | 7-CHLOROTETRACYCLINE | A,B | 3EGZ | 0.72 | |
| CTC | 7-CHLOROTETRACYCLINE | A | 2TCT | 0.72 | |
ADL | (1,8-DIHYDROXY-9-OXO-9,10-DIHYDRO- ANTHRACEN-2-YL)-ACETIC ACID | A,B | 1N5S | 0.71 | |
OAL | (1,8-DIHYDROXY-9,10-DIOXO-9,10- DIHYDRO-ANTHRACEN-2-YL)-ACETIC ACID | B | 1N5T | 0.71 | |
HEH | HEDAMYCIN | A | 1JHI | 0.71 | |
DM5 | IDARUBICIN | A,B,D | 198D | 0.75 | |
| DM5 | IDARUBICIN | A | 1D38 | 0.75 | |
| DM5 | IDARUBICIN | A | 1D67 | 0.75 | |
DM4 | 1-O-DEMETHYL-6-DEOXYDOXORUBICIN | A | 1D37 | 0.76 | |
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 | 0.78 | |
| 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 | 0.78 | |
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 | 0.76 | |
MAR | 4'-EPI-4'-(2-DEOXYFUCOSE)DAUNOMYCIN | A | 1D36 | 0.72 | |
| MAR | 4'-EPI-4'-(2-DEOXYFUCOSE)DAUNOMYCIN | A | 1R68 | 0.72 | |
| MAR | 4'-EPI-4'-(2-DEOXYFUCOSE)DAUNOMYCIN | A | 1D35 | 0.72 | |