Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03291132
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 |
DM4![]() | 1-O-DEMETHYL-6-DEOXYDOXORUBICIN | A | 1D37 | 0.73 | ![]() |
AKY![]() | A,B,C,D | 2IPI | 0.71 | ![]() | |
AI1![]() | N-BENZYL-3-(ALPHA-D-GALACTOS-1- YL)-BENZAMIDE | D,E,F,G,H,L, M,N,O,P | 1FD7 | 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 | ![]() |
CHR![]() | NEOCARZINOSTATIN-CHROMOPHORE | A | 1O5P | 0.77 | ![]() |
CHR![]() | NEOCARZINOSTATIN-CHROMOPHORE | A,B | 1NCO | 0.77 | ![]() |
BDA![]() | 4-METHYLBENZYL-N-BIS[DAUNOMYCIN] | A | 1AL9 | 0.74 | ![]() |
BDA![]() | 4-METHYLBENZYL-N-BIS[DAUNOMYCIN] | A | 1AGL | 0.74 | ![]() |
BNR![]() | BIS-DAUNORUBICIN | B | 1AMD | 0.74 | ![]() |
CMD![]() | 3'-DESAMINO-3'-(3-CYANO-4-MORPHOLINYL)- DOXORUBICIN | A | 236D | 0.7 | ![]() |
CX6![]() | 2,3,6A,7,8,9-HEXAHYDRO-11H-[1,4]DIOXINO[2,3- G]PYRROLO[2,1-B][1,3]BENZOXAZIN- 11-ONE | A,B,C,D,E,F | 2AL4 | 0.73 | ![]() |
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 | ![]() |
DM3![]() | 6-DEOXYDAUNOMYCIN | A | 1D14 | 0.75 | ![]() |
DCH![]() | 3-(7-DIAMINOMETHYL-NAPHTHALEN-2- YL)-PROPIONIC ACID ETHYL ESTER | H | 1UVU | 0.72 | ![]() |
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 | ![]() |
9AR![]() | 9-HYDROXY ARISTOLOCHIC ACID | A,B | 1FV0 | 0.7 | ![]() |
AKA![]() | 10-DECARBOXYMETHYLACLACINOMYCIN A (DCMAA) | A | 1Q0Z | 0.7 | ![]() |
AKT![]() | 10-DECARBOXYMETHYLACLACINOMYCIN T (DCMAT) | A | 1Q0R | 0.73 | ![]() |
AP1![]() | {3-[3-(3,4-DIMETHOXY-PHENYL)-1- (1-{1-[2-(3,4,5-TRIMETHOXY-PHENYL)- BUTYRYL]-PIPERIDIN-2YL}-VINYLOXY)- PROPYL]-PHENOXY}-ACETIC ACID | A,B | 1BL4 | 0.71 | ![]() |
8MO![]() | METHOXSALEN | A,B,C,D | 1Z11 | 0.74 | ![]() |
429![]() | 2-{4-[2-ACETYLAMINO-3-(4-CARBOXYMETHOXY- 3-HYDROXY-PHENYL)-PROPIONYLAMINO]- BUTOXY}-6-HYDROXY-BENZOIC ACID METHYL ESTER | A | 1QXK | 0.72 | ![]() |
C01![]() | (2S)-(4-ISOPROPYLPHENYL)[(2-METHYL- 3-OXO-5,7-DIPROPYL-2,3-DIHYDRO- 1,2-BENZISOXAZOL-6-YL)OXY]ACETATE | A | 1ZEO | 0.73 | ![]() |