Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02396057
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 | 0.85 |  |
| TAC | TETRACYCLINE | A | 2VKE | 0.85 | |
| TAC | TETRACYCLINE | A | 2TRT | 0.85 | |
| TAC | TETRACYCLINE | B | 2UXO | 0.85 | |
| TAC | TETRACYCLINE | A,B,D,E,G,H, J,K,L,N,P,Q, R,T | 1I97 | 0.85 | |
| TAC | TETRACYCLINE | A,D,H,N | 1HNW | 0.85 | |
| TAC | TETRACYCLINE | A,B | 2HCJ | 0.85 | |
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 | 0.84 | |
TDC | 5A,6-ANHYDROTETRACYCLINE | A | 2VKV | 0.81 | |
| TDC | 5A,6-ANHYDROTETRACYCLINE | A | 2VPR | 0.81 | |
CTC | 7-CHLOROTETRACYCLINE | A | 1BJ0 | 0.79 | |
| CTC | 7-CHLOROTETRACYCLINE | A,B | 1BJY | 0.79 | |
| CTC | 7-CHLOROTETRACYCLINE | A | 2FJ1 | 0.79 | |
| CTC | 7-CHLOROTETRACYCLINE | A | 1DU7 | 0.79 | |
| CTC | 7-CHLOROTETRACYCLINE | A,B | 3EGZ | 0.79 | |
| CTC | 7-CHLOROTETRACYCLINE | A | 2TCT | 0.79 | |
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 | 0.78 | |
ATC | 9-(N,N-DIMETHYLGLYCYLAMIDO)-6-DEOXY- 6-DEMETHYL-TETRACYCLINE | A | 1ORK | 0.74 | |
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 | |
TNC | 4-DIMETHYLAMINO-1,10,11,12-TETRAHYDROXY- 3-OXO-3,4,4A,5-TETRAHYDRO-NAPHTHACENE- 2-CARBOXYLIC ACID AMIDE | A,B | 1N5Q | 0.73 | |
ARY | ARYLOMYCIN A2 | A,B | 1T7D | 0.73 | |
HEH | HEDAMYCIN | A | 1JHI | 0.73 | |
NOD | N-ETHYLHYDROXY-DOXORUBICIN | A | 385D | 0.73 | |
DM4 | 1-O-DEMETHYL-6-DEOXYDOXORUBICIN | A | 1D37 | 0.72 | |
AKT | 10-DECARBOXYMETHYLACLACINOMYCIN T (DCMAT) | A | 1Q0R | 0.72 | |
DM5 | IDARUBICIN | A,B,D | 198D | 0.71 | |
| DM5 | IDARUBICIN | A | 1D38 | 0.71 | |
| DM5 | IDARUBICIN | A | 1D67 | 0.71 | |
AKY | A,B,C,D | 2IPI | 0.71 | | |
AKA | 10-DECARBOXYMETHYLACLACINOMYCIN A (DCMAA) | A | 1Q0Z | 0.71 | |
BA1 | BALANOL | A | 1BX6 | 0.71 | |
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 | 0.71 | |
DM3 | 6-DEOXYDAUNOMYCIN | A | 1D14 | 0.71 | |
BNR | BIS-DAUNORUBICIN | B | 1AMD | 0.71 | |
629 | [2-AMINO-3-(4-HYDROXY-PHENYL)-PROPIONYLAMINO]- (1,3,4,5-TETRAHYDROXY-4-HYDROXYMETHYL- PIPERIDIN-2-YL)- ACETIC ACID | A | 1JIJ | 0.71 | |
DRA | 11-DEOXY-BETA-RHODOMYCIN | A,B | 1XDS | 0.71 | |
JE2 | (R)-N-(2-METHYLBENZYL)-3-[(2S,3S)- 2-HYDROXY-3-(3-HYDROXY-2-METHYLBENZOYL)AMINO- 4-PHENYLBUTANOYL]-5,5-DIMETHYL- 1,3-THIAZOLIDINE-4-CARBOXAMIDE | A,B | 1KZK | 0.71 | |
| JE2 | (R)-N-(2-METHYLBENZYL)-3-[(2S,3S)- 2-HYDROXY-3-(3-HYDROXY-2-METHYLBENZOYL)AMINO- 4-PHENYLBUTANOYL]-5,5-DIMETHYL- 1,3-THIAZOLIDINE-4-CARBOXAMIDE | B | 1MSM | 0.71 | |
| JE2 | (R)-N-(2-METHYLBENZYL)-3-[(2S,3S)- 2-HYDROXY-3-(3-HYDROXY-2-METHYLBENZOYL)AMINO- 4-PHENYLBUTANOYL]-5,5-DIMETHYL- 1,3-THIAZOLIDINE-4-CARBOXAMIDE | A,B | 2ANL | 0.71 | |
| JE2 | (R)-N-(2-METHYLBENZYL)-3-[(2S,3S)- 2-HYDROXY-3-(3-HYDROXY-2-METHYLBENZOYL)AMINO- 4-PHENYLBUTANOYL]-5,5-DIMETHYL- 1,3-THIAZOLIDINE-4-CARBOXAMIDE | B | 1MSN | 0.71 | |
485 | [2-AMINO-3-(4-HYDROXY-PHENYL)-PROPIONYLAMINO]- (3,4,5-TRIHYDROXY-6-METHYL-TETRAHYDRO- PYRAN-2-YL)- ACETIC ACID | A | 1JIL | 0.71 | |
B8L | 3-[(3-SEC-BUTYL-4-HYDROXYBENZOYL)AMINO]AZEPAN- 4-YL 4-(2-HYDROXY-5-METHOXYBENZOYL)BENZOATE | A | 1REK | 0.7 | |
545 | [2-AMINO-3-(4-HYDROXY-PHENYL)-PROPIONYLAMINO]- (1,3,4,5-TETRAHYDROXY-4-HYDROXYMETHYL- PIPERIDIN-2-YL)- ACETIC ACID BUTYL ESTER | A | 1JIK | 0.7 | |
K57 | 3-[2-HYDROXY-3-(3-HYDROXY-2-METHYL- BENZOYLAMINO)-4-PHENYL-BUTYRYL]- 5,5-DIMETHYL-THIAZOLIDINE-4-CARBOXYLIC ACID TERT- BUTYLAMIDE | B | 1MRX | 0.7 | |
| K57 | 3-[2-HYDROXY-3-(3-HYDROXY-2-METHYL- BENZOYLAMINO)-4-PHENYL-BUTYRYL]- 5,5-DIMETHYL-THIAZOLIDINE-4-CARBOXYLIC ACID TERT- BUTYLAMIDE | A | 1MRW | 0.7 | |
NGP | NOGALAMYCIN (PROTONATED FORM) | A | 1L0R | 0.7 | |
DM1 | DAUNOMYCIN | A | 152D | 0.7 | |
| DM1 | DAUNOMYCIN | A,B,C,D | 1O0K | 0.7 | |
| DM1 | DAUNOMYCIN | A | 1JO2 | 0.7 | |
| DM1 | DAUNOMYCIN | A,B | 308D | 0.7 | |
| DM1 | DAUNOMYCIN | A | 1D33 | 0.7 | |
| DM1 | DAUNOMYCIN | A | 110D | 0.7 | |
| DM1 | DAUNOMYCIN | A | 1D11 | 0.7 | |
| DM1 | DAUNOMYCIN | A | 427D | 0.7 | |
| DM1 | DAUNOMYCIN | A | 2D34 | 0.7 | |
| DM1 | DAUNOMYCIN | A | 3F8F | 0.7 | |
| DM1 | DAUNOMYCIN | A | 1D10 | 0.7 | |
| DM1 | DAUNOMYCIN | A | 1DA0 | 0.7 | |
DM6 | 4'-EPIDOXORUBICIN | A | 1D15 | 0.7 | |
| DM6 | 4'-EPIDOXORUBICIN | A | 1D54 | 0.7 | |
| DM6 | 4'-EPIDOXORUBICIN | A | 1D58 | 0.7 | |
| DM6 | 4'-EPIDOXORUBICIN | A | 1QDA | 0.7 | |
DM2 | DOXORUBICIN | A | 2DR6 | 0.7 | |
| DM2 | DOXORUBICIN | A | 1P20 | 0.7 | |
| DM2 | DOXORUBICIN | A | 1I1E | 0.7 | |
| DM2 | DOXORUBICIN | A | 151D | 0.7 | |
| DM2 | DOXORUBICIN | A | 1D12 | 0.7 | |
| DM2 | DOXORUBICIN | A | 1DA9 | 0.7 | |