Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03093279
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 |
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 | 0.73 | |
B1L | 3-[(4-HYDROXYBENZOYL)AMINO]AZEPAN- 4-YL 4-HYDROXYBENZOATE | A | 1REJ | 0.71 | |
C39 | N-[(2S,4S,5S,7R)-4-AMINO-8-(BUTYLAMINO)- 5-HYDROXY-7-METHYL-2-(1-METHYLETHYL)- 8-OXOOCTYL]-2-(3-METHOXYPROPOXY)BENZAMIDE | C,O | 2V12 | 0.7 | |
B8L | 3-[(3-SEC-BUTYL-4-HYDROXYBENZOYL)AMINO]AZEPAN- 4-YL 4-(2-HYDROXY-5-METHOXYBENZOYL)BENZOATE | A | 1REK | 0.72 | |
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 | 0.76 | |
429 | 2-{4-[2-ACETYLAMINO-3-(4-CARBOXYMETHOXY- 3-HYDROXY-PHENYL)-PROPIONYLAMINO]- BUTOXY}-6-HYDROXY-BENZOIC ACID METHYL ESTER | A | 1QXK | 0.71 | |
DM3 | 6-DEOXYDAUNOMYCIN | A | 1D14 | 0.71 | |
C01 | (2S)-(4-ISOPROPYLPHENYL)[(2-METHYL- 3-OXO-5,7-DIPROPYL-2,3-DIHYDRO- 1,2-BENZISOXAZOL-6-YL)OXY]ACETATE | A | 1ZEO | 0.72 | |
BDA | 4-METHYLBENZYL-N-BIS[DAUNOMYCIN] | A | 1AL9 | 0.73 | |
BDA | 4-METHYLBENZYL-N-BIS[DAUNOMYCIN] | A | 1AGL | 0.73 | |
BNR | BIS-DAUNORUBICIN | B | 1AMD | 0.73 | |
BA1 | BALANOL | A | 1BX6 | 0.74 | |
CHR | NEOCARZINOSTATIN-CHROMOPHORE | A | 1O5P | 0.76 | |
CHR | NEOCARZINOSTATIN-CHROMOPHORE | A,B | 1NCO | 0.76 | |
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 | |
AB8 | (1S,3R,8AS)-8-(2-{(4S,6S)-3-(4- HYDROXY-3-METHOXYBENZYL)-4-[2-(METHYLAMINO)- 2-OXOETHYL]-2-OXO-1,3-OXAZINAN- 6-YL}ETHYL)-3,7-DIMETHYL-1,2,3,7,8,8A- HEXAHYDRONAPHTHALEN-1-YL (2R)-2- METHYLBUTANOATE | A,B | 1XDG | 0.71 | |
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 | |
AI1 | N-BENZYL-3-(ALPHA-D-GALACTOS-1- YL)-BENZAMIDE | D,E,F,G,H,L, M,N,O,P | 1FD7 | 0.73 | |
DMM | 3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)- DOXORUBICIN | A | 215D | 0.71 | |
DMM | 3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)- DOXORUBICIN | A | 235D | 0.71 | |
DMM | 3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)- DOXORUBICIN | A | 234D | 0.71 | |
DMM | 3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)- DOXORUBICIN | A,B | 2DES | 0.71 | |
2FF | (5-(aminomethyl)-2H-spiro[benzofuran- 3,4'-piperidine]-1'-yl)(5-(phenylethynyl)furan- 2-yl)methanone | A,B,C,D | 2ZA5 | 0.71 | |
ADF | 4-{[(2R,5S)-5-{[(2S)-2-(AMINOMETHYL)PYRROLIDIN- 1-YL]CARBONYL}PYRROLIDIN-2-YL]METHOXY}- 3-TERT-BUTYLBENZOIC ACID | A | 2G5P | 0.72 |