Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00742453
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 |
TRT | FRAGMENT OF TRITON X-100 | A,E | 2I0U | 0.77 | |
TRT | FRAGMENT OF TRITON X-100 | A,B | 1OIZ | 0.77 | |
TON | 2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOL | A,B | 1SEZ | 0.74 | |
261 | 2-ethoxyphenol | X | 2RB1 | 0.78 | |
EGC | 2-(2-{2-[2-(2-{2-[2-(2-{2-[4-(1,1,3,3- TETRAMETHYL-BUTYL)-PHENOXY]-ETHOXY}- ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)- ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL | A,B | 1JP3 | 0.73 | |
EGC | 2-(2-{2-[2-(2-{2-[2-(2-{2-[4-(1,1,3,3- TETRAMETHYL-BUTYL)-PHENOXY]-ETHOXY}- ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)- ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL | A | 2W22 | 0.73 | |
YZ9 | 7-HYDROXY-2-OXO-CHROMENE-3-CARBOXYLIC ACID ETHYL ESTER | A,B,C | 1GCZ | 0.71 | |
WST | (3AS,4R,9BR)-4-(4-HYDROXYPHENYL)- 1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN- 9-OL | A,B | 2POG | 0.74 | |
HOM | 7-HYDROXY-4-METHYL-3-(2-HYDROXY- ETHYL)COUMARIN | C,D | 1CJF | 0.7 | |
TF5 | 2-[(2',3',4'-TRIFLUOROBIPHENYL- 2-YL)OXY]ETHANOL | A,B | 2OP3 | 0.73 | |
258 | (2-chloroethoxy)benzene | X | 2RAY | 0.77 | |
GMN | 2,2',2"-[1,2,3-BENZENE-TRIYLTRIS(OXY)]TRIS[N,N,N- TRIETHYLETHANAMINIUM] | A,B | 1N5M | 0.81 | |
MUG | 4-METHYLUMBELLIFERYL-ALPHA-D-GLUCOSE | A,B,C,D | 1CJP | 0.7 | |
OXN | OXTOXYNOL-10 | A | 1IKT | 0.73 | |
OXN | OXTOXYNOL-10 | A,B | 2Q32 | 0.73 | |
OXN | OXTOXYNOL-10 | A,B | 1UEH | 0.73 | |
OXN | OXTOXYNOL-10 | A,B | 2D4Q | 0.73 | |
GRR | (2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acid | A | 3CDS | 0.71 | |
HFL | 5-(3,3-DIHYDROXYPROPENY)-3-METHOXY- BENZENE-1,2-DIOL | C,F | 1KYW | 0.73 | |
4BR | 2-(4-METHYLPHENOXY)ETHYLPHOSPHINATE | A | 1PE7 | 0.73 | |
4HM | 4-HYDROPEROXY-2-METHOXY-PHENOL | A | 1HU9 | 0.79 | |
DCN | DICLOSAN | A,B,C,D | 2PD4 | 0.7 | |
POT | (1S)-1-(PHENOXYMETHYL)PROPYL METHYLPHOSPHONOCHLORIDOATE | A | 2NW6 | 0.8 | |
U03 | 4-HYDROXY-7-METHOXY-3-(1-PHENYL- PROPYL)-CHROMEN-2-ONE | A | 3UPJ | 0.71 | |
INK | (RP,SP)-O-(2R)-(1-PHENOXYBUT-2- YL)-METHYLPHOSPHONIC ACID CHLORIDE | A | 1HQD | 0.8 | |
4MU | 7-hydroxy-4-methyl-2H-chromen-2- one | A,B | 3ETS | 0.7 | |
CTX | (Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)- PHENOXY]-N,N-DIMETHYLETHANAMINE | A,B,C | 1YA4 | 0.7 | |
DR6 | ALPHA-[4-(1,1,3,3 - TETRAMETHYLBUTYL)PHENYL]- OMEGA-HYDROXY-POLY(OXY-1,2-ETHANEDIYL) | C,I,T | 1YTZ | 0.72 | |
8PS | 5-OCTYL-2-PHENOXYPHENOL | A,B,C,D,E,F | 2B37 | 0.72 | |
5PP | 5-PENTYL-2-PHENOXYPHENOL | A,B,C,D,E,F | 2B36 | 0.72 | |
EPL | DIETHYL 4-METHOXYPHENYL PHOSPHATE | A | 2R1N | 0.77 | |
EGT | 2-(3,4,5-TRIHYDROXY-PHENYL)-CHROMAN- 3,5,7-TRIOL | A | 1JNQ | 0.73 | |
YR3 | (2S)-3-{4-[1-ethyl-1-(4-{[(2R)- 2-hydroxy-3,3-dimethylbutyl]oxy}- 3-methylphenyl)propyl]-2-methylphenoxy}propane- 1,2-diol | A | 2ZFX | 0.75 | |
JJ3 | (3AS,4R,9BR)-4-(4-HYDROXYPHENYL)- 6-(METHOXYMETHYL)-1,2,3,3A,4,9B- HEXAHYDROCYCLOPENTA[C]CHROMEN-8- OL | A,B | 2JJ3 | 0.71 | |
JJ3 | (3AS,4R,9BR)-4-(4-HYDROXYPHENYL)- 6-(METHOXYMETHYL)-1,2,3,3A,4,9B- HEXAHYDROCYCLOPENTA[C]CHROMEN-8- OL | A,B | 2QE4 | 0.71 | |
RCO | RESORCINOL | A,B,C,E,F,G, H,I,J,K | 2OLY | 0.7 | |
RCO | RESORCINOL | 1,3,A,B,C,D, E,G,H,I,K,Q, R,S,T,U,X,Y | 2OM1 | 0.7 | |
RCO | RESORCINOL | A,B,C,E,G,H, I,K | 2OLZ | 0.7 | |
RCO | RESORCINOL | A,B,C,D,E,F | 2OMH | 0.7 | |
RCO | RESORCINOL | A,B,C,E,G,H, I,J,K | 2OMI | 0.7 | |
RCO | RESORCINOL | A,B,C,D,E,G, I,J,K | 1EVR | 0.7 | |
RCO | RESORCINOL | A,C,E,G,I,K,M | 1QIZ | 0.7 | |
RCO | RESORCINOL | 1,3,A,B,C,D, E,G,H,I,K,Q, R,S,U,X,Y | 2OM0 | 0.7 | |
268 | 2-phenoxyethanol | A | 2RBR | 0.82 | |
B76 | A,B | 2E9D | 0.71 |