Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02336024
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 |
4TN | (2E)-3-[3-(3-ETHOXY-5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRONAPHTHALEN-2- YL)-4-HYDROXYPHENYL]ACRYLIC ACID | A | 2P1U | 0.73 |  |
BZF | BENZOFURAN | A | 182L | 0.87 | |
DTC | BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2- BENZOPYRONE] | A | 2Z9C | 0.72 | |
| DTC | BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2- BENZOPYRONE] | A,B | 1OOQ | 0.72 | |
| DTC | BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2- BENZOPYRONE] | A,B,C,D,E,F, G,H | 2F1O | 0.72 | |
B29 | [2-(3-DIBENZOFURAN-4-YL-PHENYL)- 1-HYDROXY-1-PHOSPHONO-ETHYL]-PHOSPHONIC ACID | A,B | 2E98 | 0.86 | |
| B29 | [2-(3-DIBENZOFURAN-4-YL-PHENYL)- 1-HYDROXY-1-PHOSPHONO-ETHYL]-PHOSPHONIC ACID | A,B | 2E93 | 0.86 | |
D24 | 2,5-BIS-[4-[CYCLOPENTA-1,3-DIEN- 5-YLAMINO-1-AMINOMETHYL]-PHEN-1- YL]FURAN | B | 1EEL | 0.71 | |
RWF | R-WARFARIN | A,B | 2BXD | 0.73 | |
U01 | 3-[1-(4-BROMO-PHENYL)-2-METHYL- PROPYL]-4-HYDROXY-CHROMEN-2-ONE | A | 1UPJ | 0.7 | |
244 | [5-HYDROXY-2-(4-HYDROXYPHENYL)- 1-BENZOFURAN-7-YL]ACETONITRILE | A,B | 1X78 | 0.8 | |
| 244 | [5-HYDROXY-2-(4-HYDROXYPHENYL)- 1-BENZOFURAN-7-YL]ACETONITRILE | A,B | 1X7E | 0.8 | |
697 | 5-HYDROXY-2-(4-HYDROXYPHENYL)-1- BENZOFURAN-7-CARBONITRILE | A,B | 1X76 | 0.79 | |
R19 | ALLYL-{6-[3-(4-BROMO-PHENYL)-BENZOFURAN- 6-YLOXY]-HEXYL-}-METHYL-AMIN | A,B,C | 1O6R | 0.73 | |
SB8 | 2-(3-BENZOYLPHENOXY)ETHYL(HYDROXY)FORMAMIDE | A | 2AIA | 0.71 | |
B21 | 5-(2-METHOXYPHENYL)-2-FUROIC ACID | A | 2Q93 | 0.72 | |
D19 | 2,5-BIS{[4-(N-CYCLOPROPYLDIAMINOMETHYL)PHENYL]}FURAN | A | 289D | 0.71 | |
369 | 5-(4-hydroxyphenoxy)-6-(3-hydroxyphenyl)- 7-methylnaphthalen-2-ol | A,B | 3DT3 | 0.73 | |
WRR | 4-HYDROXY-3-[(1S,3R)-3-HYDROXY- 1-PHENYLBUTYL]-2H-CHROMEN-2-ONE | A | 1H9Z | 0.7 | |
D18 | 2,5-BIS{[4-(N-ISOPROPYL)DIAMINOMETHYL]PHENYL}FURAN | B | 298D | 0.73 | |
I0G | (3AS,4R,9BR)-4-(4-HYDROXYPHENYL)- 1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN- 8-OL | A,B | 2I0G | 0.7 | |
| I0G | (3AS,4R,9BR)-4-(4-HYDROXYPHENYL)- 1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN- 8-OL | A,B,C,D | 2I0J | 0.7 | |
BM6 | 4-[2-(5,5,8,8-TETRAMETHYL-5,6,7,8- TETRAHYDRO-NAPHTHALEN-2-YL)-[1,3]DIOXOLAN- 2-YL]-BENZOIC ACID | A | 1MVC | 0.7 | |
| BM6 | 4-[2-(5,5,8,8-TETRAMETHYL-5,6,7,8- TETRAHYDRO-NAPHTHALEN-2-YL)-[1,3]DIOXOLAN- 2-YL]-BENZOIC ACID | A,C,E,G | 1MZN | 0.7 | |
WRS | 4-HYDROXY-3-[(1S,3S)-3-HYDROXY- 1-PHENYLBUTYL]-2H-CHROMEN-2-ONE | A | 1HA2 | 0.7 | |
FLN | 2-PHENYL-4H-CHROMEN-4-ONE | A | 2G0L | 0.78 | |
5TN | (2E)-3-[4-HYDROXY-3-(5,5,8,8-TETRAMETHYL- 3-PROPOXY-5,6,7,8-TETRAHYDRONAPHTHALEN- 2-YL)PHENYL]ACRYLIC ACID | A | 2P1V | 0.72 | |
D34 | 2,5-BIS{[4-(N-CYCLOBUTYLDIAMINOMETHYL)PHENYL]}FURAN | A | 1FMQ | 0.71 | |
DBF | DIBENZOFURAN-4,6-DICARBOXYLIC ACID | B | 1DVU | 0.81 | |
U03 | 4-HYDROXY-7-METHOXY-3-(1-PHENYL- PROPYL)-CHROMEN-2-ONE | A | 3UPJ | 0.71 | |
LRG | (2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid | A | 3B3K | 0.73 | |
| LRG | (2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid | A | 3D6D | 0.73 | |
NPS | (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid | A | 2VDB | 0.74 | |
CTX | (Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)- PHENOXY]-N,N-DIMETHYLETHANAMINE | A,B,C | 1YA4 | 0.7 | |
MAX | MATAIRESINOL | A | 2BGM | 0.7 | |
AI7 | 3-(heptyloxy)benzoic acid | A,B | 2O3Z | 0.75 | |
BPF | 2,5-BIS{[4-(N-ETHYLAMIDINO)]PHENYL}FURAN | A,B | 360D | 0.73 | |
D35 | 2,5-BIS{[4-(N-CYCLOHEXYLDIAMINOMETHYL)PHENYL]}FURAN | A | 1FMS | 0.73 | |
ZZ1 | 4-METHYL-2H-CHROMEN-2-ONE | A | 2CIP | 0.7 | |
397 | 2-(4-HYDROXY-PHENYL)BENZOFURAN- 5-OL | A,B | 1U9E | 0.84 | |
3TN | (2E)-3-[4-HYDROXY-3-(3-METHOXY- 5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN- 2-YL)PHENYL]ACRYLIC ACID | A | 2P1T | 0.71 | |
FLU | 2-(6-HYDROXY-3-OXO-3H-XANTHEN-9- YL)-BENZOIC ACID | L | 1FLR | 0.72 | |
| FLU | 2-(6-HYDROXY-3-OXO-3H-XANTHEN-9- YL)-BENZOIC ACID | A,B | 1N0S | 0.72 | |
| FLU | 2-(6-HYDROXY-3-OXO-3H-XANTHEN-9- YL)-BENZOIC ACID | C,L | 1T66 | 0.72 | |
| FLU | 2-(6-HYDROXY-3-OXO-3H-XANTHEN-9- YL)-BENZOIC ACID | A | 1X9Q | 0.72 | |
| FLU | 2-(6-HYDROXY-3-OXO-3H-XANTHEN-9- YL)-BENZOIC ACID | A,D | 2NMV | 0.72 | |
VII | 2,5-DIPHENYLFURAN-3,4-DICARBOXYLIC ACID | A,B | 2GFK | 0.76 | |
DFL | 2-(4-HYDROXY-PHENYL)-CHROMAN-4- ONE | A,B | 1JEP | 0.73 | |
8MO | METHOXSALEN | A,B,C,D | 1Z11 | 0.73 | |
AIN | 2-(ACETYLOXY)BENZOIC ACID | A | 3GCL | 0.72 | |
| AIN | 2-(ACETYLOXY)BENZOIC ACID | A | 2QQT | 0.72 | |
| AIN | 2-(ACETYLOXY)BENZOIC ACID | A | 1TGM | 0.72 | |
| AIN | 2-(ACETYLOXY)BENZOIC ACID | A | 2G5J | 0.72 | |
| AIN | 2-(ACETYLOXY)BENZOIC ACID | A | 1OXR | 0.72 | |
| AIN | 2-(ACETYLOXY)BENZOIC ACID | A | 3HWY | 0.72 | |
R17 | ALLYL-{4-[3-(4-BROMO-PHENYL)-BENZOFURAN- 6-YLOXY]-BUT-2-ENYL}-METHYL-AMINE | A,B,C | 1O6Q | 0.75 | |
SWF | S-WARFARIN | A,B | 1OG5 | 0.73 | |
FDS | FLUORESCIN | H | 4FAB | 0.74 | |
BVL | (2E)-1-[2-hydroxy-4-methoxy-5-(3- methylbut-2-en-1-yl)phenyl]-3-(4- hydroxyphenyl)prop-2-en-1-one | A | 2ZBH | 0.7 | |
BGF | 2,5-BIS(4-GUANYLPHENYL)FURAN | A | 227D | 0.76 | |
PSO | 4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALEN | A,B | 1FHY | 0.72 | |
| PSO | 4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALEN | B | 204D | 0.72 | |
| PSO | 4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALEN | A,B | 2B2B | 0.72 | |
| PSO | 4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALEN | B | 1FHZ | 0.72 | |
| PSO | 4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALEN | A | 203D | 0.72 | |
FC3 | 5-[2-(TRIFLUOROMETHYL)PHENYL]-2- FUROIC ACID | A | 2EVC | 0.71 | |
BHF | 2-PHENYL-4H-BENZO[H]CHROMEN-4-ONE | A | 2HI4 | 0.83 | |