Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00621311
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 |
CB1 | 5-(AZIRIDIN-1-YL)-2,4-DINITROBENZAMIDE | A,B | 1XI2 | 0.7 |  |
| CB1 | 5-(AZIRIDIN-1-YL)-2,4-DINITROBENZAMIDE | A,B | 1ZX1 | 0.7 | |
| CB1 | 5-(AZIRIDIN-1-YL)-2,4-DINITROBENZAMIDE | A,B | 1IDT | 0.7 | |
| CB1 | 5-(AZIRIDIN-1-YL)-2,4-DINITROBENZAMIDE | A,B | 2BZS | 0.7 | |
C47 | METHYL (3R)-1-[(5S,6S,8R)-5-AMINO- 9-BUTYLAMINO-6-HYDROXY-3,3,8-TRIMETHYL- 9-OXO-NONANOYL]-3,4-DIHYDRO-2H- QUINOLINE-3-CARBOXYLATE | C,O | 2V16 | 0.71 | |
SX3 | 4-bromo-2-{[(3R,5S)-3,5-dimethylpiperidin- 1-yl]carbonyl}aniline | A,B | 3CJ2 | 0.71 | |
MNI | N-{[(2R,3R,4R,5R)-3,4-DIHYDROXY- 5-(HYDROXYMETHYL)PYRROLIDIN-2-YL]METHYL}- 4-(DIMETHYLAMINO)BENZAMIDE | A,B | 2OYM | 0.7 | |
PNC | PARA-NITROBENZYL GLUTARYL GLYCINIC ACID | L | 1YEF | 0.74 | |
GEP | N-METHYL-N-(PARA-GLUTARAMIDOPHENYL- ETHYL)-PIPERIDINIUM ION | L | 25C8 | 0.73 | |
FEX | A | 1OSH | 0.7 | | |
XP1 | 4-(DIMETHYLAMINO)BENZOIC ACID | A,B | 2VJ1 | 0.71 | |
| XP1 | 4-(DIMETHYLAMINO)BENZOIC ACID | A | 2V6N | 0.71 | |
NOX | N-(PARA-GLUTARAMIDOPHENYL-ETHYL)- PIPERIDINIUM-N-OXIDE | L | 35C8 | 0.75 | |
NBX | N-{[(4-aminophenyl)carbonyl]carbamoyl}- beta-D-glucopyranosylamine | A | 2QN9 | 0.71 | |
TNS | A,B,L | 2G2R | 0.78 | | |
GF7 | (3S)-1-(4-acetylphenyl)-5-oxopyrrolidine- 3-carboxylic acid | A | 3GQZ | 0.76 | |
TSN | TRICHOSTATIN A | A,B | 1T64 | 0.73 | |
| TSN | TRICHOSTATIN A | A,B | 1C3R | 0.73 | |
| TSN | TRICHOSTATIN A | A,B,C | 3F0R | 0.73 | |
| TSN | TRICHOSTATIN A | A,B,C | 3C10 | 0.73 | |
B3N | 4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE- N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE | A,B | 3F06 | 0.77 | |
| B3N | 4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE- N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE | A,B | 3EZP | 0.77 | |
| B3N | 4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE- N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE | A | 3EW8 | 0.77 | |
| B3N | 4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE- N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE | A,B | 3EZT | 0.77 | |
| B3N | 4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE- N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE | A | 1T67 | 0.77 | |
RA4 | N-(4-NITROBENZOYL)-L-LEUCYL-N-(4- {[AMINO(IMINO)METHYL]AMINO}BUTYL)- L-PROLINAMIDE | H,I | 1YPM | 0.74 | |
NBY | N-{[(4-nitrophenyl)carbonyl]carbamoyl}- beta-D-glucopyranosylamine | A | 2QN8 | 0.75 | |
4NB | 4-NITROBENZOIC ACID | A,B | 3CHT | 0.72 | |
PRQ | (3S)-3-amino-3-(2-nitrophenyl)propanoic acid | C,F,I,L | 2VE6 | 0.71 | |
AAH | H | 1KEL | 0.77 | | |
| AAH | B,H | 1FL6 | 0.77 | |