Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00324317
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 |
BPJ | (1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL | A | 2ROU | 0.75 | |
BPJ | (1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL | A | 1HX4 | 0.75 | |
ENM | (5S,8R,9S,10S,13R,14S,17S)-13-{2- [(3,5-DIFLUOROBENZYL)OXY]ETHYL}- 17-HYDROXY-10-METHYLHEXADECAHYDRO- 3H-CYCLOPENTA[A]PHENANTHREN-3-ONE | A | 2PNU | 0.72 | |
I0G | (3AS,4R,9BR)-4-(4-HYDROXYPHENYL)- 1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN- 8-OL | A,B | 2I0G | 0.74 | |
I0G | (3AS,4R,9BR)-4-(4-HYDROXYPHENYL)- 1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN- 8-OL | A,B,C,D | 2I0J | 0.74 | |
BZA | 1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL | A | 1DL4 | 0.75 | |
BZA | 1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL | A | 1I7V | 0.75 | |
BZA | 1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL | A | 1QBY | 0.75 | |
DES | DIETHYLSTILBESTROL | A,B,C,D | 1S9P | 0.7 | |
DES | DIETHYLSTILBESTROL | A,B | 3ERD | 0.7 | |
DES | DIETHYLSTILBESTROL | A,B | 1TT6 | 0.7 | |
DES | DIETHYLSTILBESTROL | A,B,C,D | 1TZ8 | 0.7 | |
PPP | 3-PHENYL-1,2-PROPANDIOL | A,B | 1HRN | 0.7 | |
JJ3 | (3AS,4R,9BR)-4-(4-HYDROXYPHENYL)- 6-(METHOXYMETHYL)-1,2,3,3A,4,9B- HEXAHYDROCYCLOPENTA[C]CHROMEN-8- OL | A,B | 2JJ3 | 0.74 | |
JJ3 | (3AS,4R,9BR)-4-(4-HYDROXYPHENYL)- 6-(METHOXYMETHYL)-1,2,3,3A,4,9B- HEXAHYDROCYCLOPENTA[C]CHROMEN-8- OL | A,B | 2QE4 | 0.74 | |
S1A | SORAPHEN A | A,B | 3GID | 0.75 | |
S1A | SORAPHEN A | A,B,C | 1W96 | 0.75 | |
BPI | (1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL | A,P,T | 2I9G | 0.75 | |
BPI | (1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL | A | 1HWV | 0.75 | |
BZR | 1S,2R,3S,4R-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL | A | 1MXJ | 0.75 | |
BGG | CARBONIC ACID MONOBENZYL ESTER | B,D | 1DLK | 0.73 | |
H53 | 2-(2,5-DIHYDROXYPHENYL)-6-(HYDROXYMETHYL)OXANE- 3,4,5-TRIOL | A | 2FF5 | 0.75 | |
H53 | 2-(2,5-DIHYDROXYPHENYL)-6-(HYDROXYMETHYL)OXANE- 3,4,5-TRIOL | A | 2FET | 0.75 | |
BAP | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | A | 1AXV | 0.74 | |
BAP | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | A,E | 2IBK | 0.74 | |
BAP | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | A,B,C,D,E,F | 2IA6 | 0.74 | |
BAP | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | A | 1Y9H | 0.74 | |
BAP | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | A | 1FYY | 0.74 | |
BAP | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | A | 1AXO | 0.74 | |
BAP | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | A | 1DXA | 0.74 | |
BAP | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | A | 1AXL | 0.74 | |
BAP | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | A,B,D,E,F | 1S0M | 0.74 | |
BAP | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | A | 1BPS | 0.74 | |
BAP | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | A,C | 1XC9 | 0.74 | |
EED | (9BETA,11ALPHA,13ALPHA,14BETA,17ALPHA)- 11-(METHOXYMETHYL)ESTRA-1(10),2,4- TRIENE-3,17-DIOL | A,B | 2QGT | 0.74 | |
458 | 4-[(1S,2S,5S)-5-(HYDROXYMETHYL)- 8-METHYL-3-OXABICYCLO[3.3.1]NON- 7-EN-2-YL]PHENOL | A,B | 2B1V | 0.82 | |
2PM | N-[2-(BENZHYDRYLOXY)ETHYL]-N,N- DIMETHYLAMINE | A,B | 2AOT | 0.74 | |
DFT | 1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO- 5-METHYL-BENZENE-5'MONOPHOSPHATE | A | 1BW7 | 0.73 | |
DFT | 1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO- 5-METHYL-BENZENE-5'MONOPHOSPHATE | A,T | 2VA3 | 0.73 | |
DFT | 1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO- 5-METHYL-BENZENE-5'MONOPHOSPHATE | A,B,D,F | 2V9W | 0.73 | |
DFT | 1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO- 5-METHYL-BENZENE-5'MONOPHOSPHATE | A,B,D,E,F | 2VA2 | 0.73 | |
DFT | 1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO- 5-METHYL-BENZENE-5'MONOPHOSPHATE | 1,2 | 1EEK | 0.73 | |
RSO | R-STYRENE OXIDE | A,B | 1PWZ | 0.75 | |
WST | (3AS,4R,9BR)-4-(4-HYDROXYPHENYL)- 1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN- 9-OL | A,B | 2POG | 0.74 | |
BPA | 7S,8R,9R-TRIHYDROXY-7,8,9,10-TETRAHYDRO BENZO[A]PYRENE | A | 1JDG | 0.74 | |
2DM | 2-HYDROXY-3-(PYREN-1-YLMETHOXY)PROPYL DIHYDROGEN PHOSPHATE | A,B | 1S88 | 0.73 | |
2OH | 4,4'-PROPANE-2,2-DIYLDIPHENOL | A | 2E2R | 0.71 | |
2OH | 4,4'-PROPANE-2,2-DIYLDIPHENOL | A | 2P7G | 0.71 | |
PFI | (6S)-6-CYCLOPENTYL-6-[2-(3-FLUORO- 4-ISOPROPOXYPHENYL)ETHYL]-4-HYDROXY- 5,6-DIHYDRO-2H-PYRAN-2-ONE | A | 2HAI | 0.7 | |
NDH | (1R, 2S)-CIS 1,2 DIHYDROXY-1,2- DIHYDRONAPHTHALENE | A,B | 1O7P | 0.72 | |
NF2 | (1S)-1,4-ANHYDRO-1-(2,4-DIFLUORO- 5-METHYLPHENYL)-5-O-PHOSPHONO-D- RIBITOL | A,B | 2G92 | 0.72 | |
NF2 | (1S)-1,4-ANHYDRO-1-(2,4-DIFLUORO- 5-METHYLPHENYL)-5-O-PHOSPHONO-D- RIBITOL | A,B,C,D | 2Q1O | 0.72 | |
TBT | 8,9,10,11-TETRAHYDRO-BENZO[A]ANTHRACENE- 8,9,10-TRIOL | A | 1DJD | 0.75 | |
L79 | (S)-(2E)-3[4-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-2-NAPHTHALENYL)TETRAHYDRO- 1-BENZOFURAN-2-YL]-2-PROPENOIC ACID | A,D | 1RDT | 0.71 | |
FFD | (1R)-1,4-anhydro-2-deoxy-1-(3-fluorophenyl)- 5-O-phosphono-D-erythro-pentitol | A,B,C,D,E,F, G,H,I,J,K,L | 2PIS | 0.74 | |
SS1 | 1-PHENYLETHANOL | H | 1UM5 | 0.75 | |
PHQ | FORMIC ACID BENZYL ESTER | A,I | 2F4O | 0.71 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1KJO | 0.71 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2CDR | 0.71 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2C1E | 0.71 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 5PAD | 0.71 | |
PHQ | FORMIC ACID BENZYL ESTER | E,F | 1JXQ | 0.71 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 2CNO | 0.71 | |
PHQ | FORMIC ACID BENZYL ESTER | A,B | 1CGL | 0.71 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2AZ9 | 0.71 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2C2K | 0.71 | |
PHQ | FORMIC ACID BENZYL ESTER | A,I | 2CNL | 0.71 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1KJP | 0.71 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2C2M | 0.71 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2AZB | 0.71 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 9HVP | 0.71 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1ESB | 0.71 | |
PHQ | FORMIC ACID BENZYL ESTER | E,F | 1DY8 | 0.71 | |
PHQ | FORMIC ACID BENZYL ESTER | E,I | 1PPM | 0.71 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 1GEC | 0.71 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1KS7 | 0.71 | |
PHQ | FORMIC ACID BENZYL ESTER | C | 1A8G | 0.71 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1KKK | 0.71 | |
PHQ | FORMIC ACID BENZYL ESTER | T,U,V,W,X,Y | 1QDU | 0.71 | |
PHQ | FORMIC ACID BENZYL ESTER | E,I | 4TMN | 0.71 | |
PHQ | FORMIC ACID BENZYL ESTER | E,I | 5TMN | 0.71 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1KTO | 0.71 | |
PHQ | FORMIC ACID BENZYL ESTER | A,C | 1TG1 | 0.71 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2AZ8 | 0.71 | |
PHQ | FORMIC ACID BENZYL ESTER | A,B | 2G58 | 0.71 | |
PHQ | FORMIC ACID BENZYL ESTER | Q,R,S,T,U,V | 1F9E | 0.71 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2CJY | 0.71 | |
PHQ | FORMIC ACID BENZYL ESTER | A,I | 1E8M | 0.71 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1KR6 | 0.71 | |
PHQ | FORMIC ACID BENZYL ESTER | E,I | 6TMN | 0.71 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1KRO | 0.71 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2CNN | 0.71 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2C2O | 0.71 | |
PHQ | FORMIC ACID BENZYL ESTER | A,B | 1SQZ | 0.71 | |
PHQ | FORMIC ACID BENZYL ESTER | A,B | 1THE | 0.71 | |
PHQ | FORMIC ACID BENZYL ESTER | I,J | 2AZC | 0.71 | |
PHQ | FORMIC ACID BENZYL ESTER | E,I | 5EST | 0.71 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2CNK | 0.71 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1KL6 | 0.71 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 6PAD | 0.71 | |
PHQ | FORMIC ACID BENZYL ESTER | B,I | 2C2Z | 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 | 0.72 | |
689 | 4-[(1S,2S,5S)-5-(HYDROXYMETHYL)- 6,8,9-TRIMETHYL-3-OXABICYCLO[3.3.1]NON- 7-EN-2-YL]PHENOL | A,B | 1ZKY | 0.84 | |
2NA | naphthalen-2-ylmethanol | A,B,C | 3EE5 | 0.71 | |
BAD | (1S)-2-amino-1-phenylethyl 6-O- beta-L-glucopyranosyl-alpha-D-mannopyranoside | A | 2QJE | 0.7 | |
EST | ESTRADIOL | A,B | 1GWR | 0.71 | |
EST | ESTRADIOL | A | 1FDS | 0.71 | |
EST | ESTRADIOL | A,B,C | 1G50 | 0.71 | |
EST | ESTRADIOL | A,B,C,D,E,F | 1ERE | 0.71 | |
EST | ESTRADIOL | A,B | 1A52 | 0.71 | |
EST | ESTRADIOL | A | 1FDT | 0.71 | |
EST | ESTRADIOL | A | 2OCF | 0.71 | |
EST | ESTRADIOL | A,B,C | 1QKU | 0.71 | |
EST | ESTRADIOL | A,B,C,D,L | 1E6W | 0.71 | |
EST | ESTRADIOL | A | 1IOL | 0.71 | |
EST | ESTRADIOL | H | 1JNN | 0.71 | |
EST | ESTRADIOL | B | 1QKT | 0.71 | |
EST | ESTRADIOL | A | 1FDW | 0.71 | |
EST | ESTRADIOL | A,B | 1AQU | 0.71 | |
EST | ESTRADIOL | A | 1LHU | 0.71 | |
EST | ESTRADIOL | A | 1A27 | 0.71 | |
EST | ESTRADIOL | L | 1JGL | 0.71 | |
EST | ESTRADIOL | A,B,E,F | 1PCG | 0.71 | |
EST | ESTRADIOL | A,B,C,D | 1FDU | 0.71 | |
EST | ESTRADIOL | A | 2J7X | 0.71 | |
EST | ESTRADIOL | A,B | 2D06 | 0.71 | |
BPZ | 4,4'-cyclohexane-1,1-diyldiphenol | A | 2ZKC | 0.71 | |
12M | (2-ETHYLPHENYL)METHANOL | A,B | 2F62 | 0.73 | |
1OH | 4-(1-methyl-1-phenylethyl)phenol | A | 2ZAS | 0.7 | |
459 | 4-[(1S,2S,5S,9R)-5-(HYDROXYMETHYL)- 8,9-DIMETHYL-3-OXABICYCLO[3.3.1]NON- 7-EN-2-YL]PHENOL | A,B | 2FAI | 0.87 | |
PFL | 2,6-BIS(1-METHYLETHYL)PHENOL | A,B | 1E7A | 0.7 | |
ESL | ESTRIOL | A | 1X8V | 0.7 | |
E3O | (16ALPHA,17ALPHA)-ESTRA-1,3,5(10)- TRIENE-3,16,17-TRIOL | A | 2J7Y | 0.7 | |
PYP | 2'-DEOXYRIBOFURANOSYLPYRENE-5'- MONOPHOSPHATE | A,B | 1FZS | 0.74 | |
PYP | 2'-DEOXYRIBOFURANOSYLPYRENE-5'- MONOPHOSPHATE | A,B | 1FZL | 0.74 | |
DC8 | (3AS,4R,9BR)-2,2-DIFLUORO-4-(4- HYDROXYPHENYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN- 8-OL | A,B | 2Q70 | 0.72 | |
DC8 | (3AS,4R,9BR)-2,2-DIFLUORO-4-(4- HYDROXYPHENYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN- 8-OL | A,B | 2Z4B | 0.72 | |
SS2 | (1R)-1-PHENYLETHANOL | A | 1ZK0 | 0.75 | |
SS2 | (1R)-1-PHENYLETHANOL | A | 1ZJZ | 0.75 | |
SS2 | (1R)-1-PHENYLETHANOL | A | 1ZJY | 0.75 | |
HXS | 4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenol | A,B | 3CV6 | 0.74 | |
TON | 2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOL | A,B | 1SEZ | 0.71 | |
PYY | D-RIBOFURANOSYL-BENZENE-5'-MONOPHOSPHATE | A | 1G2J | 0.76 | |
3AS | (3aS,4R,9bR)-2,2-difluoro-4-(4- hydroxyphenyl)-6-(methoxymethyl)- 1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen- 8-ol | A,B | 2QTU | 0.72 | |
T3O | 4-[(1S,2R,5S)-4,4,8-TRIMETHYL-3- OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL | A,B | 2G44 | 0.86 |