Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01072602
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 |
135 | N-(4-CARBAMIMIDOYL-PHENYL)-2-HYDROXY- BENZAMIDE | B | 1GJA | 0.72 |  |
EDR | EDROPHONIUM ION | A | 1AX9 | 0.84 | |
| EDR | EDROPHONIUM ION | A | 2ACK | 0.84 | |
CZM | 'N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYLIDENE)- BENZENE-1,2-DIAMINE' | A | 1J3F | 0.78 | |
| CZM | 'N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYLIDENE)- BENZENE-1,2-DIAMINE' | A | 1UFJ | 0.78 | |
| CZM | 'N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYLIDENE)- BENZENE-1,2-DIAMINE' | A | 1V9Q | 0.78 | |
AEJ | (1S)-1-{4-[(9AR)-OCTAHYDRO-2H-PYRIDO[1,2- A]PYRAZIN-2-YL]PHENYL}-2-PHENYL- 1,2,3,4-TETRAHYDROISOQUINOLIN-6- OL | A,B,C,D | 1XQC | 0.72 | |
A48 | 4-[(DIMESITYLBORYL)(2,2,2-TRIFLUOROETHYL)AMINO]PHENOL | A,B | 2Q6J | 0.75 | |
NAF | M-(N,N,N-TRIMETHYLAMMONIO)-2,2,2- TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE | A | 1AMN | 0.73 | |
| NAF | M-(N,N,N-TRIMETHYLAMMONIO)-2,2,2- TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE | A,B | 2H9Y | 0.73 | |
TYL | N-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL) | B,C,D | 1TYM | 0.7 | |
| TYL | N-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL) | B,C,D | 1TYL | 0.7 | |
| TYL | N-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL) | A | 2OCU | 0.7 | |
| TYL | N-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL) | A,B,C,D,F | 3DJI | 0.7 | |
| TYL | N-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL) | A | 2DPZ | 0.7 | |
44B | 1,1,1,3,3,3-HEXAFLUORO-2-{4-[(2,2,2- TRIFLUOROETHYL)AMINO]PHENYL}PROPAN- 2-OL | A,B,C,D | 1PQ9 | 0.72 | |
ROS | N,N'-TETRAMETHYL-ROSAMINE | A | 1F1T | 0.74 | |
QNO | 2-NONYL-4-HYDROXYQUINOLINE N-OXIDE | C,D,E | 1NU1 | 0.74 | |
| QNO | 2-NONYL-4-HYDROXYQUINOLINE N-OXIDE | A,B,C,D,G | 2E75 | 0.74 | |
DMC | 3-(4-DIETHYLAMINO-2-HYDROXY-PHENYL)- 2-METHYL-PROPIONIC ACID | G | 4GCH | 0.86 | |
HQO | 2-HEPTYL-4-HYDROXY QUINOLINE N- OXIDE | A,B,C | 1KQG | 0.74 | |
| HQO | 2-HEPTYL-4-HYDROXY QUINOLINE N- OXIDE | A,B,C,D,E,F | 2VR0 | 0.74 | |
| HQO | 2-HEPTYL-4-HYDROXY QUINOLINE N- OXIDE | A,B,C,M,N,O,P | 1KF6 | 0.74 | |
MA0 | (1R)-6-HYDROXY-N-METHYL-N-[(1Z)- PROP-2-EN-1-YLIDENE]INDAN-1-AMINIUM | A,B | 2C64 | 0.71 | |
SAF | 3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOL | A | 1GQR | 0.72 | |
| SAF | 3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOL | A | 1GQS | 0.72 | |
FEN | N-(4-HYDROXYPHENYL)ALL-TRANS RETINAMIDE | A | 1FEL | 0.7 | |
XP1 | 4-(DIMETHYLAMINO)BENZOIC ACID | A,B | 2VJ1 | 0.7 | |
| XP1 | 4-(DIMETHYLAMINO)BENZOIC ACID | A | 2V6N | 0.7 | |