Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01875943
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 |
FLQ | N-[6-(ACETYLAMINO)HEXYL]-3',6'- DIHYDROXY-3-OXO-3H-SPIRO[2-BENZOFURAN- 1,9'-XANTHENE]-6-CARBOXAMIDE | C | 2FDC | 0.77 | |
NBF | [(2-ETHOXY-1-NAPHTHOYL)AMINO]METHYLBORONIC ACID | A | 1NY0 | 0.71 | |
NBF | [(2-ETHOXY-1-NAPHTHOYL)AMINO]METHYLBORONIC ACID | A,B | 1YMS | 0.71 | |
MNG | MENOGARIL | A,B | 202D | 0.7 | |
NOD | N-ETHYLHYDROXY-DOXORUBICIN | A | 385D | 0.72 | |
AI1 | N-BENZYL-3-(ALPHA-D-GALACTOS-1- YL)-BENZAMIDE | D,E,F,G,H,L, M,N,O,P | 1FD7 | 0.71 | |
DM3 | 6-DEOXYDAUNOMYCIN | A | 1D14 | 0.71 | |
E20 | 1-BENZYL-4-[(5,6-DIMETHOXY-1-INDANON- 2-YL)METHYL]PIPERIDINE | A | 1EVE | 0.78 | |
BDA | 4-METHYLBENZYL-N-BIS[DAUNOMYCIN] | A | 1AL9 | 0.73 | |
BDA | 4-METHYLBENZYL-N-BIS[DAUNOMYCIN] | A | 1AGL | 0.73 | |
GGO | (4R,5R)-5-AMINO-1-[2-(1,3-BENZODIOXOL- 5-YL)ETHYL]-4-(2,4,5-TRIFLUOROPHENYL)PIPERIDIN- 2-ONE | B | 2OQI | 0.74 | |
TMS | N-PROPYL-4-[(E)-2-(3,4,5-TRIMETHOXY- PHENYL)-VINYL]-BENZAMIDE | A,B | 1X6W | 0.74 | |
BNR | BIS-DAUNORUBICIN | B | 1AMD | 0.72 | |
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 | |
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 | 0.78 | |
CHR | NEOCARZINOSTATIN-CHROMOPHORE | A | 1O5P | 0.71 | |
CHR | NEOCARZINOSTATIN-CHROMOPHORE | A,B | 1NCO | 0.71 | |
BA1 | BALANOL | A | 1BX6 | 0.7 | |
EH5 | N-(1-BENZYL-3-{[3-(1,3-DIOXO-1,3- DIHYDRO-ISOINDOL-2-YL)-PROPIONYL]- [2-(HEXAHYDRO-BENZO[1,3]DIOXOL- 5-YL)-ETHYL]-AMINO}-2-HYDROXY-PROPYL)- 4-BENZYLOXY-3,5-DIMETHOXY-BENZAMIDE | A | 1LF3 | 0.74 | |
C01 | (2S)-(4-ISOPROPYLPHENYL)[(2-METHYL- 3-OXO-5,7-DIPROPYL-2,3-DIHYDRO- 1,2-BENZISOXAZOL-6-YL)OXY]ACETATE | A | 1ZEO | 0.74 | |
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 | |
HWG | N-(TERT-BUTYL)-3,5-DIMETHYL-N'- [(5-METHYL-2,3-DIHYDRO-1,4-BENZODIOXIN- 6-YL)CARBONYL]BENZOHYDRAZIDE | A,D | 1R20 | 0.73 |