Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02340079
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 |
4HM | 4-HYDROPEROXY-2-METHOXY-PHENOL | A | 1HU9 | 0.87 |  |
261 | 2-ethoxyphenol | X | 2RB1 | 0.82 | |
EGT | 2-(3,4,5-TRIHYDROXY-PHENYL)-CHROMAN- 3,5,7-TRIOL | A | 1JNQ | 0.79 | |
DCN | DICLOSAN | A,B,C,D | 2PD4 | 0.78 | |
8PS | 5-OCTYL-2-PHENOXYPHENOL | A,B,C,D,E,F | 2B37 | 0.77 | |
5PP | 5-PENTYL-2-PHENOXYPHENOL | A,B,C,D,E,F | 2B36 | 0.77 | |
KOM | 7,8-dihydroxy-4-phenyl-2H-chromen- 2-one | A | 2ZVJ | 0.77 | |
BTT | BENZENE-1,2,4,5-TETROL | A,B,C,D,E,F, G,H,I,J,K,L | 1TI6 | 0.76 | |
| BTT | BENZENE-1,2,4,5-TETROL | M,N,O,P,Q,R, S,T,U,V,W,X | 1VLF | 0.76 | |
HFL | 5-(3,3-DIHYDROXYPROPENY)-3-METHOXY- BENZENE-1,2-DIOL | C,F | 1KYW | 0.76 | |
268 | 2-phenoxyethanol | A | 2RBR | 0.75 | |
SXX | SINAPINATE | A,B | 1WB4 | 0.75 | |
PYG | BENZENE-1,2,3-TRIOL | A,B,C,D,E,F, G,H,I,J,K,L | 1TI4 | 0.75 | |
| PYG | BENZENE-1,2,3-TRIOL | M,N,O,P,Q,R, S,T,U,V,W,X | 1VLE | 0.75 | |
TTO | (3,4-DIHYDROXY-PHENYL)-TRIPHENYL- ARSONIUM | A | 1HYZ | 0.75 | |
HMK | (6AR,12AR)-6H-[1,3]DIOXOLO[5,6][1]BENZOFURO[3,2- C]CHROMENE-3,6A(12AH)-DIOL | A | 1ZGA | 0.74 | |
UQ6 | 5-(3,7,11,15,19,23-HEXAMETHYL-TETRACOSA- 2,6,10,14,18,22-HEXAENYL)-2,3-DIMETHOXY- 6-METHYL-BENZENE-1,4-DIOL | C,D,E | 1EZV | 0.74 | |
| UQ6 | 5-(3,7,11,15,19,23-HEXAMETHYL-TETRACOSA- 2,6,10,14,18,22-HEXAENYL)-2,3-DIMETHOXY- 6-METHYL-BENZENE-1,4-DIOL | A,C,D,E | 1P84 | 0.74 | |
| UQ6 | 5-(3,7,11,15,19,23-HEXAMETHYL-TETRACOSA- 2,6,10,14,18,22-HEXAENYL)-2,3-DIMETHOXY- 6-METHYL-BENZENE-1,4-DIOL | C,D,E | 2IBZ | 0.74 | |
| UQ6 | 5-(3,7,11,15,19,23-HEXAMETHYL-TETRACOSA- 2,6,10,14,18,22-HEXAENYL)-2,3-DIMETHOXY- 6-METHYL-BENZENE-1,4-DIOL | A,C,D,E | 1KB9 | 0.74 | |
PIT | PICEATANNOL | A,B,C,D,E,F, G,H,I,J,K,L, M,N | 2JJ1 | 0.74 | |
TCL | TRICLOSAN | A,B,C,D | 2PD3 | 0.74 | |
| TCL | TRICLOSAN | A,B | 1P45 | 0.74 | |
| TCL | TRICLOSAN | A,B,C,D,E,F | 2B35 | 0.74 | |
| TCL | TRICLOSAN | A,B | 1D8A | 0.74 | |
| TCL | TRICLOSAN | A,B | 1C14 | 0.74 | |
| TCL | TRICLOSAN | A,B,C,D | 2QIO | 0.74 | |
| TCL | TRICLOSAN | A,B | 1NHG | 0.74 | |
| TCL | TRICLOSAN | A | 1D7O | 0.74 | |
| TCL | TRICLOSAN | A,B,C,D | 2O2Y | 0.74 | |
| TCL | TRICLOSAN | A,B | 1UH5 | 0.74 | |
| TCL | TRICLOSAN | A,B | 2O2S | 0.74 | |
| TCL | TRICLOSAN | A,B,C,D | 1QG6 | 0.74 | |
| TCL | TRICLOSAN | A,B,C,D,E,F, G,H | 1QSG | 0.74 | |
EUG | 2-METHOXY-4-VINYL-PHENOL | A | 2QU9 | 0.73 | |
| EUG | 2-METHOXY-4-VINYL-PHENOL | A,B | 1QLU | 0.73 | |
| EUG | 2-METHOXY-4-VINYL-PHENOL | A,B | 1W1J | 0.73 | |
| EUG | 2-METHOXY-4-VINYL-PHENOL | A,B | 2VAO | 0.73 | |
| EUG | 2-METHOXY-4-VINYL-PHENOL | A,B | 1W1K | 0.73 | |
| EUG | 2-METHOXY-4-VINYL-PHENOL | A,B | 1DZN | 0.73 | |
| EUG | 2-METHOXY-4-VINYL-PHENOL | A,B | 1W1L | 0.73 | |
| EUG | 2-METHOXY-4-VINYL-PHENOL | A,B | 1W1M | 0.73 | |
GMN | 2,2',2"-[1,2,3-BENZENE-TRIYLTRIS(OXY)]TRIS[N,N,N- TRIETHYLETHANAMINIUM] | A,B | 1N5M | 0.73 | |
LJ4 | 2,6-dibromo-4-phenoxyphenol | A,B | 3CN3 | 0.73 | |
369 | 5-(4-hydroxyphenoxy)-6-(3-hydroxyphenyl)- 7-methylnaphthalen-2-ol | A,B | 3DT3 | 0.72 | |
P1S | (6AR,12AR)-3-(HYDROXYMETHYL)-6H- [1,3]DIOXOLO[5,6][1]BENZOFURO[3,2- C]CHROMEN-6A(12AH)-OL | A | 1ZGJ | 0.72 | |
WST | (3AS,4R,9BR)-4-(4-HYDROXYPHENYL)- 1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN- 9-OL | A,B | 2POG | 0.72 | |
JPN | 2-(2,4-DICHLOROPHENOXY)-5-(3-PHENYLPROPYL)PHENOL | A,B | 2OL4 | 0.71 | |
JPJ | 2-(2,4-DICHLOROPHENOXY)-5-(2-PHENYLETHYL)PHENOL | A,B | 2OOS | 0.71 | |
| JPJ | 2-(2,4-DICHLOROPHENOXY)-5-(2-PHENYLETHYL)PHENOL | A | 3FNH | 0.71 | |
HXP | 3,6-DIHYDROXY-XANTHENE-9-PROPIONIC ACID | A | 1XAN | 0.71 | |
MYF | 5,7-DIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)- 4H-CHROMEN-4-ONE | A | 2O65 | 0.71 | |
RCO | RESORCINOL | A,B,C,E,F,G, H,I,J,K | 2OLY | 0.71 | |
| RCO | RESORCINOL | 1,3,A,B,C,D, E,G,H,I,K,Q, R,S,T,U,X,Y | 2OM1 | 0.71 | |
| RCO | RESORCINOL | A,B,C,E,G,H, I,K | 2OLZ | 0.71 | |
| RCO | RESORCINOL | A,B,C,D,E,F | 2OMH | 0.71 | |
| RCO | RESORCINOL | A,B,C,E,G,H, I,J,K | 2OMI | 0.71 | |
| RCO | RESORCINOL | A,B,C,D,E,G, I,J,K | 1EVR | 0.71 | |
| RCO | RESORCINOL | A,C,E,G,I,K,M | 1QIZ | 0.71 | |
| RCO | RESORCINOL | 1,3,A,B,C,D, E,G,H,I,K,Q, R,S,U,X,Y | 2OM0 | 0.71 | |
TCT | 6-(4-CHLORO-2-HYDROXY-PHENOXY)- NAPHTHALEN-2-OL | A,B | 1NNU | 0.71 | |
JPM | 5-benzyl-2-(2,4-dichlorophenoxy)phenol | A,B,C,D | 3FNF | 0.71 | |
226 | naphthalene-1,2,4,5,7-pentol | A,B | 2NZ5 | 0.71 | |
JJ3 | (3AS,4R,9BR)-4-(4-HYDROXYPHENYL)- 6-(METHOXYMETHYL)-1,2,3,3A,4,9B- HEXAHYDROCYCLOPENTA[C]CHROMEN-8- OL | A,B | 2JJ3 | 0.7 | |
| JJ3 | (3AS,4R,9BR)-4-(4-HYDROXYPHENYL)- 6-(METHOXYMETHYL)-1,2,3,3A,4,9B- HEXAHYDROCYCLOPENTA[C]CHROMEN-8- OL | A,B | 2QE4 | 0.7 | |
QUE | 3,5,7,3',4'-PENTAHYDROXYFLAVONE | A,B,C,D,E,F | 3BXX | 0.7 | |
| QUE | 3,5,7,3',4'-PENTAHYDROXYFLAVONE | A | 2O3P | 0.7 | |
| QUE | 3,5,7,3',4'-PENTAHYDROXYFLAVONE | A,B | 2UXH | 0.7 | |
| QUE | 3,5,7,3',4'-PENTAHYDROXYFLAVONE | A | 1GP6 | 0.7 | |
| QUE | 3,5,7,3',4'-PENTAHYDROXYFLAVONE | A | 2C9Z | 0.7 | |
| QUE | 3,5,7,3',4'-PENTAHYDROXYFLAVONE | A,B,C,D,E,F, G,H,I,J,K,L, M,N | 2JJ2 | 0.7 | |
| QUE | 3,5,7,3',4'-PENTAHYDROXYFLAVONE | A | 3BPT | 0.7 | |
| QUE | 3,5,7,3',4'-PENTAHYDROXYFLAVONE | A,B,C,D,E,F | 3CF8 | 0.7 | |
| QUE | 3,5,7,3',4'-PENTAHYDROXYFLAVONE | A,B | 2HCK | 0.7 | |
| QUE | 3,5,7,3',4'-PENTAHYDROXYFLAVONE | A,B,C,D | 1H1I | 0.7 | |
| QUE | 3,5,7,3',4'-PENTAHYDROXYFLAVONE | A | 1E8W | 0.7 | |
MYU | 3,5,6,7-TETRAHYDROXY-2-(3,4-DIHYDROXYPHENYL)- 4H-CHROMEN-4-ONE | A | 2O64 | 0.7 | |