Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02878243
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 | 0.72 |  |
| TRT | FRAGMENT OF TRITON X-100 | A,B | 1OIZ | 0.72 | |
ETY | 4-ethylphenol | A,B,C,D | 2RA6 | 0.71 | |
4FE | (2E)-3-(3-hydroxy-4-methoxyphenyl)prop- 2-enoic acid | A | 3CBG | 0.71 | |
4BR | 2-(4-METHYLPHENOXY)ETHYLPHOSPHINATE | A | 1PE7 | 0.72 | |
B65 | (1R)-4-(3-phenoxyphenyl)-1-phosphonobutane- 1-sulfonic acid | A | 2ZCQ | 0.77 | |
FER | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A,C,E | 1KYZ | 0.71 | |
| FER | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 1JT2 | 0.71 | |
| FER | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 6ATJ | 0.71 | |
| FER | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A,B | 1GKL | 0.71 | |
| FER | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 1GWT | 0.71 | |
| FER | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A,B,C | 2BJH | 0.71 | |
| FER | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 1GW2 | 0.71 | |
| FER | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 3CBG | 0.71 | |
| FER | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 2BNJ | 0.71 | |
| FER | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A,B | 1UWC | 0.71 | |
| FER | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 7ATJ | 0.71 | |
LYL | 2-ALLYL-6-METHYL-PHENOL | A | 1OV7 | 0.72 | |
PCR | P-CRESOL | A | 1JHV | 0.71 | |
| PCR | P-CRESOL | A | 1JHU | 0.71 | |
| PCR | P-CRESOL | A,B,C,D | 1DIQ | 0.71 | |
OBP | A,B | 2DE3 | 0.74 | | |
TON | 2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOL | A,B | 1SEZ | 0.73 | |
EUG | 2-METHOXY-4-VINYL-PHENOL | A | 2QU9 | 0.75 | |
| EUG | 2-METHOXY-4-VINYL-PHENOL | A,B | 1QLU | 0.75 | |
| EUG | 2-METHOXY-4-VINYL-PHENOL | A,B | 1W1J | 0.75 | |
| EUG | 2-METHOXY-4-VINYL-PHENOL | A,B | 2VAO | 0.75 | |
| EUG | 2-METHOXY-4-VINYL-PHENOL | A,B | 1W1K | 0.75 | |
| EUG | 2-METHOXY-4-VINYL-PHENOL | A,B | 1DZN | 0.75 | |
| EUG | 2-METHOXY-4-VINYL-PHENOL | A,B | 1W1L | 0.75 | |
| EUG | 2-METHOXY-4-VINYL-PHENOL | A,B | 1W1M | 0.75 | |
H53 | 2-(2,5-DIHYDROXYPHENYL)-6-(HYDROXYMETHYL)OXANE- 3,4,5-TRIOL | A | 2FF5 | 0.73 | |
| H53 | 2-(2,5-DIHYDROXYPHENYL)-6-(HYDROXYMETHYL)OXANE- 3,4,5-TRIOL | A | 2FET | 0.73 | |
TF5 | 2-[(2',3',4'-TRIFLUOROBIPHENYL- 2-YL)OXY]ETHANOL | A,B | 2OP3 | 0.73 | |
OXN | OXTOXYNOL-10 | A | 1IKT | 0.72 | |
| OXN | OXTOXYNOL-10 | A,B | 2Q32 | 0.72 | |
| OXN | OXTOXYNOL-10 | A,B | 1UEH | 0.72 | |
| OXN | OXTOXYNOL-10 | A,B | 2D4Q | 0.72 | |
AZ2 | (2S)-2-ETHOXY-3-[4-(2-{4-[(METHYLSULFONYL)OXY]PHENYL}ETHOXY)PHENYL]PROPANOIC ACID | A,B | 1I7I | 0.73 | |
| AZ2 | (2S)-2-ETHOXY-3-[4-(2-{4-[(METHYLSULFONYL)OXY]PHENYL}ETHOXY)PHENYL]PROPANOIC ACID | A | 1I7G | 0.73 | |
8MR | (3R)-4,4-DIFLUORO-3-[(4-METHOXYPHENYL)SULFONYL]BUTANOIC ACID | A,B | 2OW2 | 0.71 | |
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 | 0.72 | |
| 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 | 0.72 | |
HFL | 5-(3,3-DIHYDROXYPROPENY)-3-METHOXY- BENZENE-1,2-DIOL | C,F | 1KYW | 0.74 | |
HV7 | 1-METHYLAMINE-2-HYDROXY-4-METHOXY- BENZENE | C | 1A8G | 0.71 | |
AIN | 2-(ACETYLOXY)BENZOIC ACID | A | 3GCL | 0.71 | |
| AIN | 2-(ACETYLOXY)BENZOIC ACID | A | 2QQT | 0.71 | |
| AIN | 2-(ACETYLOXY)BENZOIC ACID | A | 1TGM | 0.71 | |
| AIN | 2-(ACETYLOXY)BENZOIC ACID | A | 2G5J | 0.71 | |
| AIN | 2-(ACETYLOXY)BENZOIC ACID | A | 1OXR | 0.71 | |
| AIN | 2-(ACETYLOXY)BENZOIC ACID | A | 3HWY | 0.71 | |
CRS | M-CRESOL | A,B,C,D | 1EV3 | 0.7 | |
| CRS | M-CRESOL | A,B,C,D,E,F | 2OMG | 0.7 | |
| CRS | M-CRESOL | A,B | 1UZ9 | 0.7 | |
| CRS | M-CRESOL | A,B,C,D | 1ZEH | 0.7 | |
| CRS | M-CRESOL | A,B,C,D,E,F | 1ZEI | 0.7 | |
| CRS | M-CRESOL | A,C,D,E | 7INS | 0.7 | |
| CRS | M-CRESOL | A,B,C,D,E,G, I,K | 1EV6 | 0.7 | |
8PP | 2-[(2E,6E,10E,14E,18E,22E,26E)- 3,7,11,15,19,23,27,31-OCTAMETHYLDOTRIACONTA- 2,6,10,14,18,22,26,30-OCTAENYL]PHENOL | A,B,C,D | 1Y0G | 0.71 | |
MSB | 1-METHYLOXY-4-SULFONE-BENZENE | A | 1EUB | 0.74 | |
| MSB | 1-METHYLOXY-4-SULFONE-BENZENE | A | 1BM6 | 0.74 | |
TOM | 4-(2-METHOXYPHENYL)-2-OXOBUT-3- ENOIC ACID | A | 2IMF | 0.76 | |
2LP | 2-ALLYLPHENOL | A | 1OV5 | 0.73 | |
DBA | (2,6-DIMETHYL-PHENOXY)-ACETIC ACID | A,B | 1IDB | 0.72 | |
268 | 2-phenoxyethanol | A | 2RBR | 0.71 | |
4MU | 7-hydroxy-4-methyl-2H-chromen-2- one | A,B | 3ETS | 0.7 | |
DR6 | ALPHA-[4-(1,1,3,3 - TETRAMETHYLBUTYL)PHENYL]- OMEGA-HYDROXY-POLY(OXY-1,2-ETHANEDIYL) | C,I,T | 1YTZ | 0.72 | |
YZ9 | 7-HYDROXY-2-OXO-CHROMENE-3-CARBOXYLIC ACID ETHYL ESTER | A,B,C | 1GCZ | 0.7 | |
HOM | 7-HYDROXY-4-METHYL-3-(2-HYDROXY- ETHYL)COUMARIN | C,D | 1CJF | 0.71 | |
4HC | 4-HYDROXY-2H-CHROMEN-2-ONE | A,B | 1V5Y | 0.73 | |
PSY | phenyl ethenesulfonate | A | 3BM8 | 0.71 | |
| PSY | phenyl ethenesulfonate | A | 3BLT | 0.71 | |
STH | 2-AMINO-4H-1,3-BENZOXATHIIN-4-OL | A,B,C,D | 1XKL | 0.8 | |
MPP | 3-(3,4-DIMETHOXYPHENYL)PROPIONIC ACID | A,B | 2AY3 | 0.71 | |
440 | 3-{[4-(but-2-yn-1-yloxy)phenyl]sulfonyl}propane- 1-thiol | A | 3B92 | 0.7 | |
EPT | HEPTANYL-P-PHENOL | A,B | 1AHZ | 0.71 | |
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 | 0.73 | |