Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03131388
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 |
2PM | N-[2-(BENZHYDRYLOXY)ETHYL]-N,N- DIMETHYLAMINE | A,B | 2AOT | 0.75 |  |
PFI | (6S)-6-CYCLOPENTYL-6-[2-(3-FLUORO- 4-ISOPROPOXYPHENYL)ETHYL]-4-HYDROXY- 5,6-DIHYDRO-2H-PYRAN-2-ONE | A | 2HAI | 0.75 | |
WRS | 4-HYDROXY-3-[(1S,3S)-3-HYDROXY- 1-PHENYLBUTYL]-2H-CHROMEN-2-ONE | A | 1HA2 | 0.74 | |
RWF | R-WARFARIN | A,B | 2BXD | 0.73 | |
4MU | 7-hydroxy-4-methyl-2H-chromen-2- one | A,B | 3ETS | 0.71 | |
U01 | 3-[1-(4-BROMO-PHENYL)-2-METHYL- PROPYL]-4-HYDROXY-CHROMEN-2-ONE | A | 1UPJ | 0.7 | |
WRR | 4-HYDROXY-3-[(1S,3R)-3-HYDROXY- 1-PHENYLBUTYL]-2H-CHROMEN-2-ONE | A | 1H9Z | 0.74 | |
RSO | R-STYRENE OXIDE | A,B | 1PWZ | 0.73 | |
BGG | CARBONIC ACID MONOBENZYL ESTER | B,D | 1DLK | 0.73 | |
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 | 0.73 | |
| 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 | 0.73 | |
OST | METHYL (2Z)-3-METHOXY-2-{2-[(E)- 2-PHENYLVINYL]PHENYL}ACRYLATE | C,D,E | 1SQQ | 0.77 | |
FC1 | THIOCOUMARIN | A | 2BHJ | 0.71 | |
UIN | 5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY- 3-(1-PHENYLPROPYL)CYCLOOCTA[B]PYRAN- 2-ONE | B | 5UPJ | 0.74 | |
BZM | BENZOIC ACID PHENYLMETHYLESTER | A,B | 1DZM | 0.77 | |
U03 | 4-HYDROXY-7-METHOXY-3-(1-PHENYL- PROPYL)-CHROMEN-2-ONE | A | 3UPJ | 0.73 | |
GRR | (2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acid | A | 3CDS | 0.71 | |
4TN | (2E)-3-[3-(3-ETHOXY-5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRONAPHTHALEN-2- YL)-4-HYDROXYPHENYL]ACRYLIC ACID | A | 2P1U | 0.72 | |
ODE | DIETHYL (1R,2S,3R,4S)-5,6-BIS(4- HYDROXYPHENYL)-7-OXABICYCLO[2.2.1]HEPT- 5-ENE-2,3-DICARBOXYLATE | A,B | 2QH6 | 0.71 | |
DIC | 3,4-DICHLOROISOCOUMARIN | A | 1DIC | 0.72 | |
PHQ | FORMIC ACID BENZYL ESTER | A,I | 2F4O | 0.74 | |
| PHQ | FORMIC ACID BENZYL ESTER | A | 1KJO | 0.74 | |
| PHQ | FORMIC ACID BENZYL ESTER | I | 2CDR | 0.74 | |
| PHQ | FORMIC ACID BENZYL ESTER | I | 2C1E | 0.74 | |
| PHQ | FORMIC ACID BENZYL ESTER | I | 5PAD | 0.74 | |
| PHQ | FORMIC ACID BENZYL ESTER | E,F | 1JXQ | 0.74 | |
| PHQ | FORMIC ACID BENZYL ESTER | A | 2CNO | 0.74 | |
| PHQ | FORMIC ACID BENZYL ESTER | A,B | 1CGL | 0.74 | |
| PHQ | FORMIC ACID BENZYL ESTER | I | 2AZ9 | 0.74 | |
| PHQ | FORMIC ACID BENZYL ESTER | I | 2C2K | 0.74 | |
| PHQ | FORMIC ACID BENZYL ESTER | A,I | 2CNL | 0.74 | |
| PHQ | FORMIC ACID BENZYL ESTER | A | 1KJP | 0.74 | |
| PHQ | FORMIC ACID BENZYL ESTER | I | 2C2M | 0.74 | |
| PHQ | FORMIC ACID BENZYL ESTER | I | 2AZB | 0.74 | |
| PHQ | FORMIC ACID BENZYL ESTER | A | 9HVP | 0.74 | |
| PHQ | FORMIC ACID BENZYL ESTER | A | 1ESB | 0.74 | |
| PHQ | FORMIC ACID BENZYL ESTER | E,F | 1DY8 | 0.74 | |
| PHQ | FORMIC ACID BENZYL ESTER | E,I | 1PPM | 0.74 | |
| PHQ | FORMIC ACID BENZYL ESTER | I | 1GEC | 0.74 | |
| PHQ | FORMIC ACID BENZYL ESTER | A | 1KS7 | 0.74 | |
| PHQ | FORMIC ACID BENZYL ESTER | C | 1A8G | 0.74 | |
| PHQ | FORMIC ACID BENZYL ESTER | A | 1KKK | 0.74 | |
| PHQ | FORMIC ACID BENZYL ESTER | T,U,V,W,X,Y | 1QDU | 0.74 | |
| PHQ | FORMIC ACID BENZYL ESTER | E,I | 4TMN | 0.74 | |
| PHQ | FORMIC ACID BENZYL ESTER | E,I | 5TMN | 0.74 | |
| PHQ | FORMIC ACID BENZYL ESTER | A | 1KTO | 0.74 | |
| PHQ | FORMIC ACID BENZYL ESTER | A,C | 1TG1 | 0.74 | |
| PHQ | FORMIC ACID BENZYL ESTER | I | 2AZ8 | 0.74 | |
| PHQ | FORMIC ACID BENZYL ESTER | A,B | 2G58 | 0.74 | |
| PHQ | FORMIC ACID BENZYL ESTER | Q,R,S,T,U,V | 1F9E | 0.74 | |
| PHQ | FORMIC ACID BENZYL ESTER | I | 2CJY | 0.74 | |
| PHQ | FORMIC ACID BENZYL ESTER | A,I | 1E8M | 0.74 | |
| PHQ | FORMIC ACID BENZYL ESTER | A | 1KR6 | 0.74 | |
| PHQ | FORMIC ACID BENZYL ESTER | E,I | 6TMN | 0.74 | |
| PHQ | FORMIC ACID BENZYL ESTER | A | 1KRO | 0.74 | |
| PHQ | FORMIC ACID BENZYL ESTER | I | 2CNN | 0.74 | |
| PHQ | FORMIC ACID BENZYL ESTER | I | 2C2O | 0.74 | |
| PHQ | FORMIC ACID BENZYL ESTER | A,B | 1SQZ | 0.74 | |
| PHQ | FORMIC ACID BENZYL ESTER | A,B | 1THE | 0.74 | |
| PHQ | FORMIC ACID BENZYL ESTER | I,J | 2AZC | 0.74 | |
| PHQ | FORMIC ACID BENZYL ESTER | E,I | 5EST | 0.74 | |
| PHQ | FORMIC ACID BENZYL ESTER | I | 2CNK | 0.74 | |
| PHQ | FORMIC ACID BENZYL ESTER | A | 1KL6 | 0.74 | |
| PHQ | FORMIC ACID BENZYL ESTER | I | 6PAD | 0.74 | |
| PHQ | FORMIC ACID BENZYL ESTER | B,I | 2C2Z | 0.74 | |
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 | 0.76 | |
COU | COUMARIN | A | 3CRB | 0.74 | |
| COU | COUMARIN | A | 2PMJ | 0.74 | |
| COU | COUMARIN | A | 2H90 | 0.74 | |
| COU | COUMARIN | A,B,C,D | 1Z10 | 0.74 | |
| COU | COUMARIN | A | 2PWB | 0.74 | |
ZZ1 | 4-METHYL-2H-CHROMEN-2-ONE | A | 2CIP | 0.78 | |
1NH | (2E,6E)-8-[(3-BENZOYLBENZYL)OXY]- 3,7-DIMETHYLOCTA-2,6-DIENYL TRIHYDROGEN DIPHOSPHATE | B | 1O1S | 0.71 | |
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 | |
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 | 0.71 | |
458 | 4-[(1S,2S,5S)-5-(HYDROXYMETHYL)- 8-METHYL-3-OXABICYCLO[3.3.1]NON- 7-EN-2-YL]PHENOL | A,B | 2B1V | 0.7 | |
HZ3 | dimethyl (1R,4S)-5,6-bis(4-hydroxyphenyl)- 7-oxabicyclo[2.2.1]hepta-2,5-diene- 2,3-dicarboxylate | A,B | 2QR9 | 0.74 | |
4HC | 4-HYDROXY-2H-CHROMEN-2-ONE | A,B | 1V5Y | 0.73 | |
NIU | 6,7,8,9-TETRAHYDRO-4-HYDROXY-3- (1-PHENYLPROPYL)CYCLOHEPTA[B]PYRAN- 2-ONE | A | 6UPJ | 0.74 | |
SWF | S-WARFARIN | A,B | 1OG5 | 0.73 | |
SDN | [(3S)-9-hydroxy-1-methyl-10-oxo- 4,10-dihydro-3H-benzo[g]isochromen- 3-yl]acetic acid | A,B | 3B6C | 0.7 | |