Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02742130
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 |
VNL | 4-HYDROXY-3-METHOXYBENZOATE | A,B,C,D | 2AHC | 0.73 |  |
| VNL | 4-HYDROXY-3-METHOXYBENZOATE | A | 1XLR | 0.73 | |
BZF | BENZOFURAN | A | 182L | 0.71 | |
5PP | 5-PENTYL-2-PHENOXYPHENOL | A,B,C,D,E,F | 2B36 | 0.71 | |
8PS | 5-OCTYL-2-PHENOXYPHENOL | A,B,C,D,E,F | 2B37 | 0.71 | |
V55 | 4-hydroxy-3-methoxybenzaldehyde | B,D,E,F | 2VSS | 0.71 | |
| V55 | 4-hydroxy-3-methoxybenzaldehyde | A,B,D,E,F | 2VSU | 0.71 | |
BYS | 2-BENZO[1,3]DIOXOL-5-YLMETHYL-3- BENZYL-SUCCINIC ACID | A,B | 1JJE | 0.89 | |
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 | |
AZ2 | (2S)-2-ETHOXY-3-[4-(2-{4-[(METHYLSULFONYL)OXY]PHENYL}ETHOXY)PHENYL]PROPANOIC ACID | A,B | 1I7I | 0.72 | |
| AZ2 | (2S)-2-ETHOXY-3-[4-(2-{4-[(METHYLSULFONYL)OXY]PHENYL}ETHOXY)PHENYL]PROPANOIC ACID | A | 1I7G | 0.72 | |
HMK | (6AR,12AR)-6H-[1,3]DIOXOLO[5,6][1]BENZOFURO[3,2- C]CHROMENE-3,6A(12AH)-DIOL | A | 1ZGA | 0.73 | |
CIO | CILOMILAST | A,B | 1XOM | 0.77 | |
| CIO | CILOMILAST | A,B | 1XLX | 0.77 | |
VII | 2,5-DIPHENYLFURAN-3,4-DICARBOXYLIC ACID | A,B | 2GFK | 0.7 | |
RWF | R-WARFARIN | A,B | 2BXD | 0.7 | |
BRZ | 6-(1,1-DIMETHYLALLYL)-2-(1-HYDROXY- 1-METHYLETHYL)-2,3-DIHYDRO-7H-FURO[3,2- G]CHROMEN-7-ONE | C | 1K3T | 0.72 | |
4TN | (2E)-3-[3-(3-ETHOXY-5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRONAPHTHALEN-2- YL)-4-HYDROXYPHENYL]ACRYLIC ACID | A | 2P1U | 0.7 | |
G24 | [4-(3-BENZYL-4-HYDROXYBENZYL)-3,5- DIMETHYLPHENOXY]ACETIC ACID | A | 1Q4X | 0.7 | |
P1S | (6AR,12AR)-3-(HYDROXYMETHYL)-6H- [1,3]DIOXOLO[5,6][1]BENZOFURO[3,2- C]CHROMEN-6A(12AH)-OL | A | 1ZGJ | 0.72 | |
MPP | 3-(3,4-DIMETHOXYPHENYL)PROPIONIC ACID | A,B | 2AY3 | 0.78 | |
WRR | 4-HYDROXY-3-[(1S,3R)-3-HYDROXY- 1-PHENYLBUTYL]-2H-CHROMEN-2-ONE | A | 1H9Z | 0.7 | |
AFN | 8,9-DIHYDRO-9-HYDROXY-AFLATOXIN B1 | A | 1N1N | 0.73 | |
E20 | 1-BENZYL-4-[(5,6-DIMETHOXY-1-INDANON- 2-YL)METHYL]PIPERIDINE | A | 1EVE | 0.7 | |
E3G | ESTRONE BETA-D-GLUCURONIDE | H,L | 1CFV | 0.7 | |
POD | 9-HYDROXY-5-(3,4,5-TRIMETHOXYPHENYL)- 5,8,8A,9-TETRAHYDROFURO[3',4':6,7]NAPHTHO[2,3- D][1,3]DIOXOL-6(5AH)-ONE | A,B,C,D | 1SA1 | 0.81 | |
MGI | methyl 4-(2,3-dihydroxy-5-methylphenoxy)- 2-hydroxy-6-methylbenzoate | A | 2ZA0 | 0.71 | |
VXX | VANILLATE | A,B | 1WB6 | 0.73 | |
CA2 | (1S,3R,4R,5S)-1,3,4-TRIHYDROXY- 5-(3-PHENOXYPROPYL)CYCLOHEXANECARBOXYLIC ACID | A,B,C,D,E,F, G,H,I,J,K,L | 2BT4 | 0.71 | |
300 | 2-FORMYL-6-METHOXYPHENYL DIHYDROGEN PHOSPHATE | A | 1O41 | 0.71 | |
WRS | 4-HYDROXY-3-[(1S,3S)-3-HYDROXY- 1-PHENYLBUTYL]-2H-CHROMEN-2-ONE | A | 1HA2 | 0.7 | |
U03 | 4-HYDROXY-7-METHOXY-3-(1-PHENYL- PROPYL)-CHROMEN-2-ONE | A | 3UPJ | 0.71 | |
SWF | S-WARFARIN | A,B | 1OG5 | 0.7 | |
FX3 | 5-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop- 2-enoyl]-alpha-L-ribofuranose | A | 2VGD | 0.74 | |
GRR | (2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acid | A | 3CDS | 0.75 | |
LRG | (2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid | A | 3B3K | 0.75 | |
| LRG | (2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid | A | 3D6D | 0.75 | |
8MO | METHOXSALEN | A,B,C,D | 1Z11 | 0.72 | |
SYR | SYRINGATE | A,B | 1WB5 | 0.7 | |
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 | 0.73 | |
BDS | 2,3-BIS-BENZO[1,3]DIOXOL-5-YLMETHYL- SUCCINIC ACID | A,B | 1JJT | 0.9 | |
AI7 | 3-(heptyloxy)benzoic acid | A,B | 2O3Z | 0.73 | |
4FE | (2E)-3-(3-hydroxy-4-methoxyphenyl)prop- 2-enoic acid | A | 3CBG | 0.73 | |
PFI | (6S)-6-CYCLOPENTYL-6-[2-(3-FLUORO- 4-ISOPROPOXYPHENYL)ETHYL]-4-HYDROXY- 5,6-DIHYDRO-2H-PYRAN-2-ONE | A | 2HAI | 0.71 | |
NPS | (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid | A | 2VDB | 0.72 | |
MAX | MATAIRESINOL | A | 2BGM | 0.84 | |
FER | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A,C,E | 1KYZ | 0.73 | |
| FER | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 1JT2 | 0.73 | |
| FER | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 6ATJ | 0.73 | |
| FER | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A,B | 1GKL | 0.73 | |
| FER | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 1GWT | 0.73 | |
| FER | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A,B,C | 2BJH | 0.73 | |
| FER | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 1GW2 | 0.73 | |
| FER | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 3CBG | 0.73 | |
| FER | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 2BNJ | 0.73 | |
| FER | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A,B | 1UWC | 0.73 | |
| FER | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 7ATJ | 0.73 | |
HZ3 | dimethyl (1R,4S)-5,6-bis(4-hydroxyphenyl)- 7-oxabicyclo[2.2.1]hepta-2,5-diene- 2,3-dicarboxylate | A,B | 2QR9 | 0.73 | |
EMF | ethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylate | A,B | 2QZZ | 0.78 | |
| EMF | ethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylate | A,B | 2R2G | 0.78 | |