Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02453933
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 |
BAD | (1S)-2-amino-1-phenylethyl 6-O- beta-L-glucopyranosyl-alpha-D-mannopyranoside | A | 2QJE | 0.87 |  |
SHP | (4-HYDROXYMALTOSEPHENYL)GLYCINE | A | 1DSR | 0.71 | |
S06 | (3S,5R,7R,8S,9S,10R)-7-(hydroxymethyl)- 3-(2-naphthyl)-1,6-dioxa-2-azaspiro[4.5]decane- 8,9,10-triol | A | 2QRP | 0.74 | |
CTL | CIS-(1R,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN- 1-OL | A,B | 2AN3 | 0.73 | |
TB1 | (3S)-3-(BENZYLOXY)-L-ASPARTIC ACID | A,B,C | 2NWW | 0.7 | |
XX6 | 2-{[(2R)-2-HYDROXY-3-(9-PHENANTHRYLOXY)PROPYL]AMINO}PROPANE- 1,3-DIOL | A | 2V3I | 0.7 | |
DM4 | 1-O-DEMETHYL-6-DEOXYDOXORUBICIN | A | 1D37 | 0.72 | |
XX7 | 2-{[(2S)-2-HYDROXY-3-(9-PHENANTHRYLOXY)PROPYL]AMINO}PROPANE- 1,3-DIOL | A | 2V3R | 0.7 | |
S1A | SORAPHEN A | A,B | 3GID | 0.7 | |
| S1A | SORAPHEN A | A,B,C | 1W96 | 0.7 | |
SNP | 1-(ISOPROPYLAMINO)-3-(1-NAPHTHYLOXY)- 2-PROPANOL | A | 1DY4 | 0.71 | |
TTL | TRANS-(1S,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN- 1-OL | A,B | 2AN5 | 0.73 | |
KI2 | 3-BENZYLOXYCARBONYLAMINO-2-HYDROXY- 4-PHENYL-BUTYRIC ACID | A,B,I,J | 1NH0 | 0.71 | |
| KI2 | 3-BENZYLOXYCARBONYLAMINO-2-HYDROXY- 4-PHENYL-BUTYRIC ACID | I | 1U8G | 0.71 | |
HC6 | (2S,2'S)-2,2'-biphenyl-4,4'-diylbis(2- hydroxy-4,4-dimethylmorpholin-4- ium) | A,B | 3F2R | 0.74 | |
| HC6 | (2S,2'S)-2,2'-biphenyl-4,4'-diylbis(2- hydroxy-4,4-dimethylmorpholin-4- ium) | A,B | 3G15 | 0.74 | |
PH5 | 2-PHENYL-PROP5AC | A,B | 2BVE | 0.72 | |
DM5 | IDARUBICIN | A,B,D | 198D | 0.72 | |
| DM5 | IDARUBICIN | A | 1D38 | 0.72 | |
| DM5 | IDARUBICIN | A | 1D67 | 0.72 | |
S13 | (3S,5R,7R,8S,9S,10R)-7-(hydroxymethyl)- 3-(4-methylphenyl)-1,6-dioxa-2- azaspiro[4.5]decane-8,9,10-triol | A | 2QRQ | 0.74 | |
2PM | N-[2-(BENZHYDRYLOXY)ETHYL]-N,N- DIMETHYLAMINE | A,B | 2AOT | 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 | 0.7 | |
COR | 2,4-DIAMINO-1,5-DIPHENYL-3-HYDROXYPENTANE | A | 9HVP | 0.71 | |
BS1 | (3-EXO)-3-(10,11-DIHYDRO-5H-DIBENZO[A,D][7]ANNULEN- 5-YLOXY)-8,8-DIMETHYL-8-AZONIABICYCLO[3.2.1]OCTANE | A,F | 2W8F | 0.7 | |
TA2 | (2R,3S)-3-AMINO-3-PHENYLPROPANE- 1,2-DIOL | A,B | 2IFR | 0.7 | |
DM3 | 6-DEOXYDAUNOMYCIN | A | 1D14 | 0.7 | |