Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00097439
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 |
OHT | 4-HYDROXYTAMOXIFEN | A | 3ERT | 0.78 | |
OHT | 4-HYDROXYTAMOXIFEN | A,B | 1S9Q | 0.78 | |
OHT | 4-HYDROXYTAMOXIFEN | A,B | 1VJB | 0.78 | |
OHT | 4-HYDROXYTAMOXIFEN | A,B,C,P,R | 2JF9 | 0.78 | |
OHT | 4-HYDROXYTAMOXIFEN | A,B,C,D,E,F | 2GPV | 0.78 | |
OHT | 4-HYDROXYTAMOXIFEN | A | 2GPU | 0.78 | |
OHT | 4-HYDROXYTAMOXIFEN | A | 2P7Z | 0.78 | |
OHT | 4-HYDROXYTAMOXIFEN | A,B | 2BJ4 | 0.78 | |
OHT | 4-HYDROXYTAMOXIFEN | A,B | 2FSZ | 0.78 | |
TOL | TOLRESTAT | A | 2PDL | 0.73 | |
TOL | TOLRESTAT | A | 2FZD | 0.73 | |
TOL | TOLRESTAT | A | 2FZB | 0.73 | |
TOL | TOLRESTAT | A | 1AH3 | 0.73 | |
TOL | TOLRESTAT | X | 1ZUA | 0.73 | |
TOL | TOLRESTAT | A | 1AE4 | 0.73 | |
11N | 1-[1'-(3-phenylacryloyl)spiro[1- benzofuran-3,4'-piperidin]-5-yl]methanamine | A,B,C,D | 2ZEC | 0.74 | |
3QC | (4R)-4-(3-HYDROXYPHENYL)-N,N,7,8- TETRAMETHYL-3,4-DIHYDROISOQUINOLINE- 2(1H)-CARBOXAMIDE | A,B | 2FME | 0.79 | |
CMZ | (2S)-1-(2,5-dimethylphenoxy)-3- morpholin-4-ylpropan-2-ol | A | 2OF0 | 0.73 | |
EST | ESTRADIOL | A,B | 1GWR | 0.7 | |
EST | ESTRADIOL | A | 1FDS | 0.7 | |
EST | ESTRADIOL | A,B,C | 1G50 | 0.7 | |
EST | ESTRADIOL | A,B,C,D,E,F | 1ERE | 0.7 | |
EST | ESTRADIOL | A,B | 1A52 | 0.7 | |
EST | ESTRADIOL | A | 1FDT | 0.7 | |
EST | ESTRADIOL | A | 2OCF | 0.7 | |
EST | ESTRADIOL | A,B,C | 1QKU | 0.7 | |
EST | ESTRADIOL | A,B,C,D,L | 1E6W | 0.7 | |
EST | ESTRADIOL | A | 1IOL | 0.7 | |
EST | ESTRADIOL | H | 1JNN | 0.7 | |
EST | ESTRADIOL | B | 1QKT | 0.7 | |
EST | ESTRADIOL | A | 1FDW | 0.7 | |
EST | ESTRADIOL | A,B | 1AQU | 0.7 | |
EST | ESTRADIOL | A | 1LHU | 0.7 | |
EST | ESTRADIOL | A | 1A27 | 0.7 | |
EST | ESTRADIOL | L | 1JGL | 0.7 | |
EST | ESTRADIOL | A,B,E,F | 1PCG | 0.7 | |
EST | ESTRADIOL | A,B,C,D | 1FDU | 0.7 | |
EST | ESTRADIOL | A | 2J7X | 0.7 | |
EST | ESTRADIOL | A,B | 2D06 | 0.7 | |
CM4 | (2R,3R,4S)-3-(4-HYDROXYPHENYL)- 4-METHYL-2-[4-(2-PYRROLIDIN-1-YLETHOXY)PHENYL]CHROMAN- 6-OL | A | 1YIM | 0.75 | |
PTI | 2-PHENYL-1-[4-(2-PIPERIDIN-1-YL- ETHOXY)-PHENYL]-1,2,3,4-TETRAHYDRO- ISOQUINOLIN-6-OL | A | 1UOM | 0.72 | |
C3D | (5R,6S)-6-PHENYL-5-[4-(2-PYRROLIDIN- 1-YLETHOXY)PHENYL]-5,6,7,8-TETRAHYDRONAPHTHALEN- 2-OL | A | 2OUZ | 0.76 | |
TAX | (Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)- PHENOXY]-N,N-DIMETHYLETHANAMINIUM | A | 1FJ5 | 0.71 | |
HC6 | (2S,2'S)-2,2'-biphenyl-4,4'-diylbis(2- hydroxy-4,4-dimethylmorpholin-4- ium) | A,B | 3F2R | 0.77 | |
HC6 | (2S,2'S)-2,2'-biphenyl-4,4'-diylbis(2- hydroxy-4,4-dimethylmorpholin-4- ium) | A,B | 3G15 | 0.77 | |
AEH | 4-(2-aminoethyl)-2-ethylphenol | A | 3BUG | 0.73 | |
LJ1 | 2,6-dimethyl-4-[(E)-2-phenylethenyl]phenol | A,B | 3CN0 | 0.71 | |
MA0 | (1R)-6-HYDROXY-N-METHYL-N-[(1Z)- PROP-2-EN-1-YLIDENE]INDAN-1-AMINIUM | A,B | 2C64 | 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 | 0.71 | |
BPZ | 4,4'-cyclohexane-1,1-diyldiphenol | A | 2ZKC | 0.75 | |
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 | 0.72 | |
ALE | L-EPINEPHRINE | A | 3PAH | 0.7 | |
ALE | L-EPINEPHRINE | A | 2HKK | 0.7 | |
ARY | ARYLOMYCIN A2 | A,B | 1T7D | 0.7 | |
2OH | 4,4'-PROPANE-2,2-DIYLDIPHENOL | A | 2E2R | 0.75 | |
2OH | 4,4'-PROPANE-2,2-DIYLDIPHENOL | A | 2P7G | 0.75 | |
AOE | N-BUTYL-11-[(7R,8R,9S,13S,14S,17S)- 3,17-DIHYDROXY-13-METHYL-7,8,9,11,12,13,14,15,16,17- DECAHYDRO-6H-CYCLOPENTA[A]PHENANTHREN- 7-YL]-N-METHYLUNDECANAMIDE | A | 1HJ1 | 0.72 | |
RHP | (3R)-3-(PROP-2-YNYLAMINO)INDAN- 5-OL | A,B | 1S3E | 0.71 | |
CM3 | (2R,3R,4S)-5-FLUORO-3-(4-HYDROXYPHENYL)- 4-METHYL-2-[4-(2-PIPERIDIN-1-YLETHOXY)PHENYL]CHROMAN- 6-OL | A | 1YIN | 0.75 | |
DES | DIETHYLSTILBESTROL | A,B,C,D | 1S9P | 0.71 | |
DES | DIETHYLSTILBESTROL | A,B | 3ERD | 0.71 | |
DES | DIETHYLSTILBESTROL | A,B | 1TT6 | 0.71 | |
DES | DIETHYLSTILBESTROL | A,B,C,D | 1TZ8 | 0.71 | |
A48 | 4-[(DIMESITYLBORYL)(2,2,2-TRIFLUOROETHYL)AMINO]PHENOL | A,B | 2Q6J | 0.71 | |
SLX | (13aS)-3,10-dimethoxy-5,8,13,13a- tetrahydro-6H-isoquino[3,2-a]isoquinoline- 2,9-diol | A | 3FW9 | 0.75 | |
TXF | (Z)-4-(1-{4-[2-(DIMETHYLAMINO)ETHOXY]PHENYL}- 5-HYDROXY-2-PHENYLPENT-1-ENYL)PHENOL | A,B,C,D,E | 2EWP | 0.78 | |
AHT | 4-(2,5-DIAMINO-5-HYDROXY-PENTYL)- PHENOL | I,T | 1TMB | 0.7 | |
REN | (S)-reticuline | A | 3FWA | 0.76 | |
REN | (S)-reticuline | A | 3D2D | 0.76 | |
1OH | 4-(1-methyl-1-phenylethyl)phenol | A | 2ZAS | 0.74 | |
HXS | 4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenol | A,B | 3CV6 | 0.73 | |
OTS | 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RG2 | 0.71 | |
OTS | 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RG1 | 0.71 | |
OTS | 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RH0 | 0.71 | |
OTS | 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RGU | 0.71 | |
OTS | 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RGT | 0.71 | |
BM4 | 3-[(3R)-3-ethyl-1-{9-[(3S)-3-ethyl- 3-(3-hydroxyphenyl)azepan-1-yl]nonyl}azepan- 3-yl]phenol | X | 2W6C | 0.78 | |
2PM | N-[2-(BENZHYDRYLOXY)ETHYL]-N,N- DIMETHYLAMINE | A,B | 2AOT | 0.71 | |
DRQ | (9ALPHA,13BETA,17BETA)-2-[(1Z)- BUT-1-EN-1-YL]ESTRA-1,3,5(10)-TRIENE- 3,17-DIOL | A,B | 2G5O | 0.71 | |
2E3 | (2E)-3-[4-hydroxy-3-(3,5,5,8,8- pentamethyl-5,6,7,8-tetrahydronaphthalen- 2-yl)phenyl]prop-2-enoic acid | A | 3FUG | 0.7 | |
CTX | (Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)- PHENOXY]-N,N-DIMETHYLETHANAMINE | A,B,C | 1YA4 | 0.74 | |
SAF | 3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOL | A | 1GQR | 0.77 | |
SAF | 3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOL | A | 1GQS | 0.77 | |
OTR | 4-(2R-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RGT | 0.71 | |
OTR | 4-(2R-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RG2 | 0.71 | |
OTR | 4-(2R-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 2AN4 | 0.71 | |
AED | 4-(2-aminoethyl)-2-cyclohexylphenol | A | 3BUH | 0.75 | |
T3O | 4-[(1S,2R,5S)-4,4,8-TRIMETHYL-3- OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL | A,B | 2G44 | 0.7 |