Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01296140
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 |
BPM![]() | 4-PHOSPHONOOXY-PHENYL-METHYL-[4- PHOSPHONOOXY]BENZEN | A | 1AAX | 0.83 | ![]() |
DES![]() | DIETHYLSTILBESTROL | A,B,C,D | 1S9P | 0.78 | ![]() |
DES![]() | DIETHYLSTILBESTROL | A,B | 3ERD | 0.78 | ![]() |
DES![]() | DIETHYLSTILBESTROL | A,B | 1TT6 | 0.78 | ![]() |
DES![]() | DIETHYLSTILBESTROL | A,B,C,D | 1TZ8 | 0.78 | ![]() |
SRL![]() | [2-(3,5-DI-TERT-BUTYL-4-HYDROXY- PHENYL)-1-(DIETHOXY-PHOSPHORYL)- VINYL]-PHOSPHONIC ACID DIETHLYL ESTER | A | 1ILH | 0.76 | ![]() |
SRL![]() | [2-(3,5-DI-TERT-BUTYL-4-HYDROXY- PHENYL)-1-(DIETHOXY-PHOSPHORYL)- VINYL]-PHOSPHONIC ACID DIETHLYL ESTER | A,B | 1NRL | 0.76 | ![]() |
4BR![]() | 2-(4-METHYLPHENOXY)ETHYLPHOSPHINATE | A | 1PE7 | 0.76 | ![]() |
BR3![]() | (6-METHYL-3,4-DIHYDRO-2H-CHROMEN- 2-YL)METHYLPHOSPHINATE | A | 1PE5 | 0.75 | ![]() |
HXS![]() | 4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenol | A,B | 3CV6 | 0.75 | ![]() |
2OH![]() | 4,4'-PROPANE-2,2-DIYLDIPHENOL | A | 2E2R | 0.74 | ![]() |
2OH![]() | 4,4'-PROPANE-2,2-DIYLDIPHENOL | A | 2P7G | 0.74 | ![]() |
EPT![]() | HEPTANYL-P-PHENOL | A,B | 1AHZ | 0.73 | ![]() |
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 | 0.73 | ![]() |
PSN![]() | BENZYL 2-FORMYLPHENYL HYDROGEN PHOSPHATE | A | 1O4K | 0.73 | ![]() |
2LP![]() | 2-ALLYLPHENOL | A | 1OV5 | 0.73 | ![]() |
LJ1![]() | 2,6-dimethyl-4-[(E)-2-phenylethenyl]phenol | A,B | 3CN0 | 0.73 | ![]() |
1OH![]() | 4-(1-methyl-1-phenylethyl)phenol | A | 2ZAS | 0.73 | ![]() |
ETY![]() | 4-ethylphenol | A,B,C,D | 2RA6 | 0.73 | ![]() |
FCR![]() | ALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOL | A,B | 1E0Y | 0.73 | ![]() |
FCR![]() | ALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOL | A,B | 1E8G | 0.73 | ![]() |
BPZ![]() | 4,4'-cyclohexane-1,1-diyldiphenol | A | 2ZKC | 0.72 | ![]() |
LYL![]() | 2-ALLYL-6-METHYL-PHENOL | A | 1OV7 | 0.72 | ![]() |
2HS![]() | HEXYLPHOSPHONIC ACID (S)-2-METHYL- 3-PHENYLPROPYL ESTER | X | 1YS2 | 0.72 | ![]() |
2HR![]() | HEXYLPHOSPHONIC ACID (R)-2-METHYL- 3-PHENYLPROPYL ESTER | X | 1YS1 | 0.72 | ![]() |
TF5![]() | 2-[(2',3',4'-TRIFLUOROBIPHENYL- 2-YL)OXY]ETHANOL | A,B | 2OP3 | 0.72 | ![]() |
HPS![]() | PHENYL DIHYDROGEN PHOSPHATE | A | 1O4O | 0.72 | ![]() |
SS2![]() | (1R)-1-PHENYLETHANOL | A | 1ZK0 | 0.71 | ![]() |
SS2![]() | (1R)-1-PHENYLETHANOL | A | 1ZJZ | 0.71 | ![]() |
SS2![]() | (1R)-1-PHENYLETHANOL | A | 1ZJY | 0.71 | ![]() |
PCR![]() | P-CRESOL | A | 1JHV | 0.71 | ![]() |
PCR![]() | P-CRESOL | A | 1JHU | 0.71 | ![]() |
PCR![]() | P-CRESOL | A,B,C,D | 1DIQ | 0.71 | ![]() |
219![]() | CYCLOHEXYLMETHYL 2-FORMYLPHENYL HYDROGEN PHOSPHATE | A | 1O4I | 0.71 | ![]() |
1NP![]() | 1-NAPHTHOL | X | 2ZVQ | 0.71 | ![]() |
I59![]() | HYDROXY(1-NAPHTHYL)METHYLPHOSPHONIC ACID | A | 1O4G | 0.71 | ![]() |
BPY![]() | BIPHENYL-2,3-DIOL | A | 1KMY | 0.71 | ![]() |
BPY![]() | BIPHENYL-2,3-DIOL | B | 1KW8 | 0.71 | ![]() |
BPY![]() | BIPHENYL-2,3-DIOL | A | 2EI3 | 0.71 | ![]() |
BPY![]() | BIPHENYL-2,3-DIOL | A | 1EIR | 0.71 | ![]() |
BPY![]() | BIPHENYL-2,3-DIOL | B | 1KW6 | 0.71 | ![]() |
BPY![]() | BIPHENYL-2,3-DIOL | B | 1KWC | 0.71 | ![]() |
BPY![]() | BIPHENYL-2,3-DIOL | B | 1KW9 | 0.71 | ![]() |
SS1![]() | 1-PHENYLETHANOL | H | 1UM5 | 0.71 | ![]() |
BP7![]() | 1,1'-BIPHENYL-3,4-DIOL | A | 2EI0 | 0.71 | ![]() |
TN1![]() | 5,6,7,8-TETRAHYDRONAPHTHALEN-1- OL | A | 1YSG | 0.71 | ![]() |
B76![]() | A,B | 2E9D | 0.71 | ![]() | |
CRS![]() | M-CRESOL | A,B,C,D | 1EV3 | 0.71 | ![]() |
CRS![]() | M-CRESOL | A,B,C,D,E,F | 2OMG | 0.71 | ![]() |
CRS![]() | M-CRESOL | A,B | 1UZ9 | 0.71 | ![]() |
CRS![]() | M-CRESOL | A,B,C,D | 1ZEH | 0.71 | ![]() |
CRS![]() | M-CRESOL | A,B,C,D,E,F | 1ZEI | 0.71 | ![]() |
CRS![]() | M-CRESOL | A,C,D,E | 7INS | 0.71 | ![]() |
CRS![]() | M-CRESOL | A,B,C,D,E,G, I,K | 1EV6 | 0.71 | ![]() |
2MP![]() | 3,4-DIMETHYLPHENOL | A | 1L5O | 0.7 | ![]() |
INK![]() | (RP,SP)-O-(2R)-(1-PHENOXYBUT-2- YL)-METHYLPHOSPHONIC ACID CHLORIDE | A | 1HQD | 0.7 | ![]() |
DHR![]() | (2S)-HYDROXY(4-HYDROXYPHENYL)ETHANENITRILE | A,B | 1E55 | 0.7 | ![]() |
IPB![]() | 5-METHYL-2-(1-METHYLETHYL)PHENOL | A,B | 1E06 | 0.7 | ![]() |
EPL![]() | DIETHYL 4-METHOXYPHENYL PHOSPHATE | A | 2R1N | 0.7 | ![]() |
POT![]() | (1S)-1-(PHENOXYMETHYL)PROPYL METHYLPHOSPHONOCHLORIDOATE | A | 2NW6 | 0.7 | ![]() |