Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02339511
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 |
DCN![]() | DICLOSAN | A,B,C,D | 2PD4 | 0.74 | ![]() |
NE2![]() | 3,3',4',5-TETRACHLOROBIPHENYL-4- OL | A,B | 2GAB | 0.72 | ![]() |
5PP![]() | 5-PENTYL-2-PHENOXYPHENOL | A,B,C,D,E,F | 2B36 | 0.71 | ![]() |
8PS![]() | 5-OCTYL-2-PHENOXYPHENOL | A,B,C,D,E,F | 2B37 | 0.71 | ![]() |
JPM![]() | 5-benzyl-2-(2,4-dichlorophenoxy)phenol | A,B,C,D | 3FNF | 0.73 | ![]() |
4BR![]() | 2-(4-METHYLPHENOXY)ETHYLPHOSPHINATE | A | 1PE7 | 0.77 | ![]() |
BP6![]() | 2',6'-DICHLORO-BIPHENYL-2,6-DIOL | A | 1LKD | 0.72 | ![]() |
BP3![]() | 2'-CHLORO-BIPHENYL-2,3-DIOL | A | 1LGT | 0.73 | ![]() |
258![]() | (2-chloroethoxy)benzene | X | 2RAY | 0.75 | ![]() |
3CH![]() | 3-CHLOROPHENOL | A | 1LI3 | 0.71 | ![]() |
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 | ![]() |
1OH![]() | 4-(1-methyl-1-phenylethyl)phenol | A | 2ZAS | 0.71 | ![]() |
DES![]() | DIETHYLSTILBESTROL | A,B,C,D | 1S9P | 0.73 | ![]() |
DES![]() | DIETHYLSTILBESTROL | A,B | 3ERD | 0.73 | ![]() |
DES![]() | DIETHYLSTILBESTROL | A,B | 1TT6 | 0.73 | ![]() |
DES![]() | DIETHYLSTILBESTROL | A,B,C,D | 1TZ8 | 0.73 | ![]() |
PCQ![]() | 3,5,3',5'-TETRACHLORO-BIPHENYL- 4,4'-DIOL | A,B | 1G3M | 0.72 | ![]() |
PCQ![]() | 3,5,3',5'-TETRACHLORO-BIPHENYL- 4,4'-DIOL | A,B | 2G5U | 0.72 | ![]() |
TON![]() | 2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOL | A,B | 1SEZ | 0.72 | ![]() |
LJ1![]() | 2,6-dimethyl-4-[(E)-2-phenylethenyl]phenol | A,B | 3CN0 | 0.71 | ![]() |
TF5![]() | 2-[(2',3',4'-TRIFLUOROBIPHENYL- 2-YL)OXY]ETHANOL | A,B | 2OP3 | 0.72 | ![]() |
TCT![]() | 6-(4-CHLORO-2-HYDROXY-PHENOXY)- NAPHTHALEN-2-OL | A,B | 1NNU | 0.73 | ![]() |
BR3![]() | (6-METHYL-3,4-DIHYDRO-2H-CHROMEN- 2-YL)METHYLPHOSPHINATE | A | 1PE5 | 0.72 | ![]() |
TRT![]() | FRAGMENT OF TRITON X-100 | A,E | 2I0U | 0.73 | ![]() |
TRT![]() | FRAGMENT OF TRITON X-100 | A,B | 1OIZ | 0.73 | ![]() |
ZHH![]() | 2-(4-METHOXYPHENYL)ETHANAMINE | D,H | 2HKR | 0.76 | ![]() |
EPT![]() | HEPTANYL-P-PHENOL | A,B | 1AHZ | 0.7 | ![]() |
JPA![]() | 4-(2,4-DICHLOROPHENOXY)-2'-METHYLBIPHENYL- 3-OL | A,B | 2FOI | 0.72 | ![]() |
JPL![]() | 5-(cyclohexa-1,5-dien-1-ylmethyl)- 2-(2,4-dichlorophenoxy)phenol | A | 3FNG | 0.73 | ![]() |
ZZ1![]() | 4-METHYL-2H-CHROMEN-2-ONE | A | 2CIP | 0.72 | ![]() |
TOM![]() | 4-(2-METHOXYPHENYL)-2-OXOBUT-3- ENOIC ACID | A | 2IMF | 0.71 | ![]() |
JPJ![]() | 2-(2,4-DICHLOROPHENOXY)-5-(2-PHENYLETHYL)PHENOL | A,B | 2OOS | 0.72 | ![]() |
JPJ![]() | 2-(2,4-DICHLOROPHENOXY)-5-(2-PHENYLETHYL)PHENOL | A | 3FNH | 0.72 | ![]() |
PZM![]() | 1-(4-METHOXYPHENYL)METHANAMINE | A,D,H | 2HJB | 0.75 | ![]() |
JPN![]() | 2-(2,4-DICHLOROPHENOXY)-5-(3-PHENYLPROPYL)PHENOL | A,B | 2OL4 | 0.72 | ![]() |
PCR![]() | P-CRESOL | A | 1JHV | 0.72 | ![]() |
PCR![]() | P-CRESOL | A | 1JHU | 0.72 | ![]() |
PCR![]() | P-CRESOL | A,B,C,D | 1DIQ | 0.72 | ![]() |
34C![]() | (3-CHLORO-4-PROPOXY-PHENYL)-ACETIC ACID | A,B | 1HT8 | 0.75 | ![]() |
YRG![]() | (2S)-2-(4-chlorophenoxy)-3-phenylpropanoic acid | A | 3CDP | 0.75 | ![]() |
HXS![]() | 4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenol | A,B | 3CV6 | 0.7 | ![]() |
TCL![]() | TRICLOSAN | A,B,C,D | 2PD3 | 0.7 | ![]() |
TCL![]() | TRICLOSAN | A,B | 1P45 | 0.7 | ![]() |
TCL![]() | TRICLOSAN | A,B,C,D,E,F | 2B35 | 0.7 | ![]() |
TCL![]() | TRICLOSAN | A,B | 1D8A | 0.7 | ![]() |
TCL![]() | TRICLOSAN | A,B | 1C14 | 0.7 | ![]() |
TCL![]() | TRICLOSAN | A,B,C,D | 2QIO | 0.7 | ![]() |
TCL![]() | TRICLOSAN | A,B | 1NHG | 0.7 | ![]() |
TCL![]() | TRICLOSAN | A | 1D7O | 0.7 | ![]() |
TCL![]() | TRICLOSAN | A,B,C,D | 2O2Y | 0.7 | ![]() |
TCL![]() | TRICLOSAN | A,B | 1UH5 | 0.7 | ![]() |
TCL![]() | TRICLOSAN | A,B | 2O2S | 0.7 | ![]() |
TCL![]() | TRICLOSAN | A,B,C,D | 1QG6 | 0.7 | ![]() |
TCL![]() | TRICLOSAN | A,B,C,D,E,F, G,H | 1QSG | 0.7 | ![]() |
ZHZ![]() | 2-(4-METHOXYPHENYL)ACETAMIDE | D,H | 2HKR | 0.71 | ![]() |
CTX![]() | (Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)- PHENOXY]-N,N-DIMETHYLETHANAMINE | A,B,C | 1YA4 | 0.72 | ![]() |
NE1![]() | 2',3,3',4',5-PENTACHLOROBIPHENYL- 4-OL | A,B | 2G9K | 0.72 | ![]() |
2OH![]() | 4,4'-PROPANE-2,2-DIYLDIPHENOL | A | 2E2R | 0.7 | ![]() |
2OH![]() | 4,4'-PROPANE-2,2-DIYLDIPHENOL | A | 2P7G | 0.7 | ![]() |
ETY![]() | 4-ethylphenol | A,B,C,D | 2RA6 | 0.73 | ![]() |
SC4![]() | 1[2-CHLORO-4-METHOXY-PHENYL-OXYMETHYL]- 4-[2,6-DICHLORO-PHENYL-OXYMETHYL]- BENZENE | 1,4 | 1EAH | 0.8 | ![]() |
SC4![]() | 1[2-CHLORO-4-METHOXY-PHENYL-OXYMETHYL]- 4-[2,6-DICHLORO-PHENYL-OXYMETHYL]- BENZENE | 1,4 | 3EPF | 0.8 | ![]() |
43M![]() | 4-CHLORO-3-METHYLPHENOL | A | 2P7A | 0.76 | ![]() |
COU![]() | COUMARIN | A | 3CRB | 0.7 | ![]() |
COU![]() | COUMARIN | A | 2PMJ | 0.7 | ![]() |
COU![]() | COUMARIN | A | 2H90 | 0.7 | ![]() |
COU![]() | COUMARIN | A,B,C,D | 1Z10 | 0.7 | ![]() |
COU![]() | COUMARIN | A | 2PWB | 0.7 | ![]() |