Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01721543
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 | 0.7 | |
OHT | 4-HYDROXYTAMOXIFEN | A,B | 1S9Q | 0.7 | |
OHT | 4-HYDROXYTAMOXIFEN | A,B | 1VJB | 0.7 | |
OHT | 4-HYDROXYTAMOXIFEN | A,B,C,P,R | 2JF9 | 0.7 | |
OHT | 4-HYDROXYTAMOXIFEN | A,B,C,D,E,F | 2GPV | 0.7 | |
OHT | 4-HYDROXYTAMOXIFEN | A | 2GPU | 0.7 | |
OHT | 4-HYDROXYTAMOXIFEN | A | 2P7Z | 0.7 | |
OHT | 4-HYDROXYTAMOXIFEN | A,B | 2BJ4 | 0.7 | |
OHT | 4-HYDROXYTAMOXIFEN | A,B | 2FSZ | 0.7 | |
BPZ | 4,4'-cyclohexane-1,1-diyldiphenol | A | 2ZKC | 0.72 | |
A48 | 4-[(DIMESITYLBORYL)(2,2,2-TRIFLUOROETHYL)AMINO]PHENOL | A,B | 2Q6J | 0.7 | |
TOH | (3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT- 3-ENOIC ACID | A | 2IME | 0.72 | |
TOH | (3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT- 3-ENOIC ACID | A | 2IMD | 0.72 | |
LDP | L-DOPAMINE | A,B | 2A3R | 0.7 | |
LDP | L-DOPAMINE | A | 5PAH | 0.7 | |
LDP | L-DOPAMINE | A,B | 2QMZ | 0.7 | |
LDP | L-DOPAMINE | A,B | 2VQ5 | 0.7 | |
TXF | (Z)-4-(1-{4-[2-(DIMETHYLAMINO)ETHOXY]PHENYL}- 5-HYDROXY-2-PHENYLPENT-1-ENYL)PHENOL | A,B,C,D,E | 2EWP | 0.71 | |
AED | 4-(2-aminoethyl)-2-cyclohexylphenol | A | 3BUH | 0.71 | |
MOY | [(4R)-4-(3-HYDROXYPHENYL)-1,6-DIMETHYL- 2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDIN- 5-YL](PHENYL)METHANONE | A,B | 2IEH | 0.74 | |
3QC | (4R)-4-(3-HYDROXYPHENYL)-N,N,7,8- TETRAMETHYL-3,4-DIHYDROISOQUINOLINE- 2(1H)-CARBOXAMIDE | A,B | 2FME | 0.76 | |
2MP | 3,4-DIMETHYLPHENOL | A | 1L5O | 0.7 | |
FHC | 2-FLUORO-3-(4-HYDROXYPHENYL)-2E- PROPENEOATE | A | 2OPA | 0.71 | |
FHC | 2-FLUORO-3-(4-HYDROXYPHENYL)-2E- PROPENEOATE | A,B,C | 1MFI | 0.71 | |
FHC | 2-FLUORO-3-(4-HYDROXYPHENYL)-2E- PROPENEOATE | A,B | 1GYY | 0.71 | |
1OH | 4-(1-methyl-1-phenylethyl)phenol | A | 2ZAS | 0.71 | |
CRS | M-CRESOL | A,B,C,D | 1EV3 | 0.72 | |
CRS | M-CRESOL | A,B,C,D,E,F | 2OMG | 0.72 | |
CRS | M-CRESOL | A,B | 1UZ9 | 0.72 | |
CRS | M-CRESOL | A,B,C,D | 1ZEH | 0.72 | |
CRS | M-CRESOL | A,B,C,D,E,F | 1ZEI | 0.72 | |
CRS | M-CRESOL | A,C,D,E | 7INS | 0.72 | |
CRS | M-CRESOL | A,B,C,D,E,G, I,K | 1EV6 | 0.72 | |
AEG | 4-[(2R)-2-aminopropyl]phenol | A | 3BUF | 0.71 | |
B3Y | (3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACID | A | 3HF0 | 0.7 | |
B3Y | (3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACID | A | 2OXK | 0.7 | |
B3Y | (3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACID | A,B,C | 2OXJ | 0.7 | |
LJ1 | 2,6-dimethyl-4-[(E)-2-phenylethenyl]phenol | A,B | 3CN0 | 0.71 | |
DMC | 3-(4-DIETHYLAMINO-2-HYDROXY-PHENYL)- 2-METHYL-PROPIONIC ACID | G | 4GCH | 0.71 | |
DES | DIETHYLSTILBESTROL | A,B,C,D | 1S9P | 0.74 | |
DES | DIETHYLSTILBESTROL | A,B | 3ERD | 0.74 | |
DES | DIETHYLSTILBESTROL | A,B | 1TT6 | 0.74 | |
DES | DIETHYLSTILBESTROL | A,B,C,D | 1TZ8 | 0.74 | |
AEH | 4-(2-aminoethyl)-2-ethylphenol | A | 3BUG | 0.7 | |
STL | RESVERATROL | A,B | 3CKL | 0.71 | |
STL | RESVERATROL | A,B,C,D | 1U0W | 0.71 | |
STL | RESVERATROL | A | 1CGZ | 0.71 | |
STL | RESVERATROL | A,B,C,D,E,F, G,H,I,J,K,L, M,N | 2JIZ | 0.71 | |
STL | RESVERATROL | A | 1Z1F | 0.71 | |
STL | RESVERATROL | A | 1DVS | 0.71 | |
STL | RESVERATROL | A,B | 1SG0 | 0.71 | |
HC4 | A | 1TS6 | 0.73 | ||
HC4 | A | 3PHY | 0.73 | ||
HC4 | A | 3PYP | 0.73 | ||
HC4 | A | 1T1C | 0.73 | ||
HC4 | A | 1OT6 | 0.73 | ||
HC4 | A | 1TS0 | 0.73 | ||
HC4 | A | 1T1A | 0.73 | ||
HC4 | A | 2PYP | 0.73 | ||
HC4 | A | 2ZOI | 0.73 | ||
HC4 | A | 1OTI | 0.73 | ||
HC4 | A | 1XFQ | 0.73 | ||
HC4 | A | 2D01 | 0.73 | ||
HC4 | A,B,C,D,E,F, G,H | 2O7B | 0.73 | ||
HC4 | A | 2ZOH | 0.73 | ||
HC4 | A | 1GSW | 0.73 | ||
HC4 | A | 2QJ7 | 0.73 | ||
HC4 | A | 1F9I | 0.73 | ||
HC4 | X | 1UWP | 0.73 | ||
HC4 | A | 2PHY | 0.73 | ||
HC4 | A | 1T1B | 0.73 | ||
HC4 | A | 1F98 | 0.73 | ||
HC4 | A | 1T19 | 0.73 | ||
HC4 | X | 1UWN | 0.73 | ||
HC4 | A,B,C,D,E,F, G,H | 2O7F | 0.73 | ||
HC4 | A | 1UGU | 0.73 | ||
HC4 | A | 1TS8 | 0.73 | ||
HC4 | A,B | 1OTD | 0.73 | ||
HC4 | A | 1OTE | 0.73 | ||
HC4 | A | 1GSX | 0.73 | ||
HC4 | A | 1TS7 | 0.73 | ||
HC4 | A | 2PYR | 0.73 | ||
HC4 | A | 1S4S | 0.73 | ||
HC4 | A | 1GSV | 0.73 | ||
HC4 | A | 2I9V | 0.73 | ||
HC4 | A | 2QWS | 0.73 | ||
HC4 | A | 1XFN | 0.73 | ||
HC4 | A | 1S4R | 0.73 | ||
HC4 | A | 1T18 | 0.73 | ||
HC4 | A | 1OTA | 0.73 | ||
HC4 | A | 1D7E | 0.73 | ||
HC4 | A | 1S1Z | 0.73 | ||
HC4 | A,B,C | 1MZU | 0.73 | ||
HC4 | A,B | 1ODV | 0.73 | ||
HC4 | A,B | 2J3J | 0.73 | ||
HC4 | A | 2QJ5 | 0.73 | ||
HC4 | A | 1OTB | 0.73 | ||
HC4 | A | 2D02 | 0.73 | ||
HC4 | A | 1OT9 | 0.73 | ||
HC4 | A | 1NWZ | 0.73 | ||
HC4 | A | 1S1Y | 0.73 | ||
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 | |
ETC | (R,R)-5,11-CIS-DIETHYL-5,6,11,12- TETRAHYDROCHRYSENE-2,8-DIOL | A,B | 1L2I | 0.71 | |
ETC | (R,R)-5,11-CIS-DIETHYL-5,6,11,12- TETRAHYDROCHRYSENE-2,8-DIOL | A,B | 1L2J | 0.71 | |
DBE | bis(4-hydroxyphenyl)methanone | A | 2VKU | 0.72 | |
DHC | CAFFEIC ACID | A,B,C,D,E,F, G,H | 2O7D | 0.71 | |
DHC | CAFFEIC ACID | A | 1KOU | 0.71 | |
2HC | (2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACID | A,B | 1V5Z | 0.72 | |
HXS | 4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenol | A,B | 3CV6 | 0.73 | |
AC6 | P-HYDROXYACETOPHENONE | A | 2GQ8 | 0.71 | |
AC6 | P-HYDROXYACETOPHENONE | X | 2O48 | 0.71 | |
3XH | 3-Hydroxyhippuric acid | A | 3E9K | 0.71 | |
TNC | 4-DIMETHYLAMINO-1,10,11,12-TETRAHYDROXY- 3-OXO-3,4,4A,5-TETRAHYDRO-NAPHTHACENE- 2-CARBOXYLIC ACID AMIDE | A,B | 1N5Q | 0.71 | |
AEF | 4-(2-aminoethyl)phenol | A | 3BRA | 0.72 | |
R12 | 9-(4-HYDROXY-2,6-DIMETHYL-PHENYL)- 3,7-DIMETHYL-NONA-4,6,8-TRIENOIC ACID | A | 3CBS | 0.71 | |
SAF | 3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOL | A | 1GQR | 0.77 | |
SAF | 3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOL | A | 1GQS | 0.77 | |
SGI | 3-(4-hydroxyphenyl)propanamide | A,B | 2R9K | 0.7 | |
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 | 0.72 | |
2OH | 4,4'-PROPANE-2,2-DIYLDIPHENOL | A | 2E2R | 0.72 | |
2OH | 4,4'-PROPANE-2,2-DIYLDIPHENOL | A | 2P7G | 0.72 | |
YTT | (3S,6S)-3,6-bis(4-hydroxybenzyl)piperazine- 2,5-dione | A | 3G5H | 0.74 | |
BM4 | 3-[(3R)-3-ethyl-1-{9-[(3S)-3-ethyl- 3-(3-hydroxyphenyl)azepan-1-yl]nonyl}azepan- 3-yl]phenol | X | 2W6C | 0.77 | |
LOB | LOBELINE | A,B,C,D,E,F, G,H,I,J | 2BYS | 0.78 | |
Y13 | (2E)-3-(3,4-DIHYDROXYPHENYL)-N- [2-(4-HYDROXYPHENYL)ETHYL]ACRYLAMIDE | A | 2EW6 | 0.8 |