Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02485707
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 |
AAY | 8-[2-((2S)-4-HYDROXY-1-{[5-(HYDROXYMETHYL)- 6-METHOXY-2-NAPHTHYL]METHYL}-6- OXOPIPERIDIN-2-YL)ETHYL]-3,7-DIMETHYL- 1,2,3,7,8,8A-HEXAHYDRONAPHTHALEN- 1-YL 2-METHYLBUTANOATE | A,B | 1XDD | 0.7 | |
CMD | 3'-DESAMINO-3'-(3-CYANO-4-MORPHOLINYL)- DOXORUBICIN | A | 236D | 0.94 | |
BDA | 4-METHYLBENZYL-N-BIS[DAUNOMYCIN] | A | 1AL9 | 0.94 | |
BDA | 4-METHYLBENZYL-N-BIS[DAUNOMYCIN] | A | 1AGL | 0.94 | |
B8L | 3-[(3-SEC-BUTYL-4-HYDROXYBENZOYL)AMINO]AZEPAN- 4-YL 4-(2-HYDROXY-5-METHOXYBENZOYL)BENZOATE | A | 1REK | 0.74 | |
CPB | 2-(2-CHLORO-PHENYL)-5,7-DIHYDROXY- 8-(3-HYDROXY-1-METHYL-PIPERIDIN- 4-YL)-4H-BENZOPYRAN-4-ONE | A | 1E1Y | 0.73 | |
CPB | 2-(2-CHLORO-PHENYL)-5,7-DIHYDROXY- 8-(3-HYDROXY-1-METHYL-PIPERIDIN- 4-YL)-4H-BENZOPYRAN-4-ONE | A,B | 3BLR | 0.73 | |
CPB | 2-(2-CHLORO-PHENYL)-5,7-DIHYDROXY- 8-(3-HYDROXY-1-METHYL-PIPERIDIN- 4-YL)-4H-BENZOPYRAN-4-ONE | A | 1C8K | 0.73 | |
AKY | A,B,C,D | 2IPI | 0.9 | ||
AKA | 10-DECARBOXYMETHYLACLACINOMYCIN A (DCMAA) | A | 1Q0Z | 0.91 | |
CCG | CALICHEAMICIN GAMMA-1 | A | 2GKC | 0.72 | |
AKV | {3-[(1R,3S)-1,3-DIHYDROXYPENTYL]- 4,5,9,10-TETRAHYDROXY-2-ANTHRYL}ACETATE | A,B,C,D | 2F99 | 0.71 | |
BA1 | BALANOL | A | 1BX6 | 0.73 | |
CHR | NEOCARZINOSTATIN-CHROMOPHORE | A | 1O5P | 0.83 | |
CHR | NEOCARZINOSTATIN-CHROMOPHORE | A,B | 1NCO | 0.83 | |
AKT | 10-DECARBOXYMETHYLACLACINOMYCIN T (DCMAT) | A | 1Q0R | 0.91 | |
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 | 0.92 | |
DM1 | DAUNOMYCIN | A | 152D | 0.93 | |
DM1 | DAUNOMYCIN | A,B,C,D | 1O0K | 0.93 | |
DM1 | DAUNOMYCIN | A | 1JO2 | 0.93 | |
DM1 | DAUNOMYCIN | A,B | 308D | 0.93 | |
DM1 | DAUNOMYCIN | A | 1D33 | 0.93 | |
DM1 | DAUNOMYCIN | A | 110D | 0.93 | |
DM1 | DAUNOMYCIN | A | 1D11 | 0.93 | |
DM1 | DAUNOMYCIN | A | 427D | 0.93 | |
DM1 | DAUNOMYCIN | A | 2D34 | 0.93 | |
DM1 | DAUNOMYCIN | A | 3F8F | 0.93 | |
DM1 | DAUNOMYCIN | A | 1D10 | 0.93 | |
DM1 | DAUNOMYCIN | A | 1DA0 | 0.93 | |
7CA | 5,7-DIHYDROXY-2-(4-METHOXYPHENYL)- 8-(3-METHYLBUTYL)-4-OXO-4H-CHROMEN- 3-YL 6-DEOXY-ALPHA-L-MANNOPYRANOSIDE | A | 2H44 | 0.76 | |
BNR | BIS-DAUNORUBICIN | B | 1AMD | 0.91 | |
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 | |
CCI | CALICHEAMICIN GAMMA-1-I | B | 1QMS | 0.73 | |
AI1 | N-BENZYL-3-(ALPHA-D-GALACTOS-1- YL)-BENZAMIDE | D,E,F,G,H,L, M,N,O,P | 1FD7 | 0.73 | |
941 | 2-(4-{2-TERT-BUTOXYCARBONYLAMINO- 2-[4-(3-HYDROXY-2-METHOXYCARBONYL- PHENOXY)-BUTYLCARBAMOYL]-ETHYL}- PHENOXY)-MALONIC ACID | A | 1PYN | 0.72 |