Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01438727
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 |
FUX | 5-HYDROXYMETHYL-FURFURAL | A,B,C,D | 1QXE | 0.76 |  |
FC3 | 5-[2-(TRIFLUOROMETHYL)PHENYL]-2- FUROIC ACID | A | 2EVC | 0.84 | |
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 | |
FHB | 3-FLUORO-4-HYDROXYBENZOIC ACID | M,N,O,P,Q,R | 3PCF | 0.7 | |
A04 | 5-[2-(TRIFLUOROMETHOXY)PHENYL]- 2-FUROIC ACID | A | 2Q94 | 0.82 | |
VNL | 4-HYDROXY-3-METHOXYBENZOATE | A,B,C,D | 2AHC | 0.74 | |
| VNL | 4-HYDROXY-3-METHOXYBENZOATE | A | 1XLR | 0.74 | |
FC2 | 5-(2,5-DICHLOROPHENYL)-2-FUROIC ACID | A | 2EVM | 0.77 | |
HMY | (1aR,8S,13S,14S,15aR)-5,13,14-trihydroxy- 3-methoxy-8-methyl-8,9,13,14,15,15a- hexahydro-6H-oxireno[k][2]benzoxacyclotetradecine- 6,12(1aH)-dione | A,B | 3C9W | 0.7 | |
ORE | 4-(2,7-DIFLUORO-6-HYDROXY-3-OXO- 3H-XANTHEN-9-YL)ISOPHTHALIC ACID | H,I | 2A9N | 0.71 | |
397 | 2-(4-HYDROXY-PHENYL)BENZOFURAN- 5-OL | A,B | 1U9E | 0.71 | |
AZ2 | (2S)-2-ETHOXY-3-[4-(2-{4-[(METHYLSULFONYL)OXY]PHENYL}ETHOXY)PHENYL]PROPANOIC ACID | A,B | 1I7I | 0.73 | |
| AZ2 | (2S)-2-ETHOXY-3-[4-(2-{4-[(METHYLSULFONYL)OXY]PHENYL}ETHOXY)PHENYL]PROPANOIC ACID | A | 1I7G | 0.73 | |
WRS | 4-HYDROXY-3-[(1S,3S)-3-HYDROXY- 1-PHENYLBUTYL]-2H-CHROMEN-2-ONE | A | 1HA2 | 0.72 | |
GRR | (2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acid | A | 3CDS | 0.76 | |
DTC | BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2- BENZOPYRONE] | A | 2Z9C | 0.74 | |
| DTC | BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2- BENZOPYRONE] | A,B | 1OOQ | 0.74 | |
| DTC | BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2- BENZOPYRONE] | A,B,C,D,E,F, G,H | 2F1O | 0.74 | |
FCD | 5-(2-CHLOROPHENYL)FURAN-2-CARBOXYLIC ACID | A | 1XNZ | 0.78 | |
A18 | 5-(2-CHLOROBENZYL)-2-FUROIC ACID | A | 2Q96 | 0.8 | |
MOF | MOMETASONE FUROATE | A,B | 1SR7 | 0.71 | |
PSO | 4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALEN | A,B | 1FHY | 0.71 | |
| PSO | 4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALEN | B | 204D | 0.71 | |
| PSO | 4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALEN | A,B | 2B2B | 0.71 | |
| PSO | 4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALEN | B | 1FHZ | 0.71 | |
| PSO | 4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALEN | A | 203D | 0.71 | |
TOM | 4-(2-METHOXYPHENYL)-2-OXOBUT-3- ENOIC ACID | A | 2IMF | 0.73 | |
WRR | 4-HYDROXY-3-[(1S,3R)-3-HYDROXY- 1-PHENYLBUTYL]-2H-CHROMEN-2-ONE | A | 1H9Z | 0.72 | |
FRR | (3R,5Z,8S,9S,11E)-8,9,16-TRIHYDROXY- 14-METHOXY-3-METHYL-3,4,9,10-TETRAHYDRO- 1H-2-BENZOXACYCLOTETRADECINE-1,7(8H)- DIONE | A | 2E14 | 0.73 | |
MPB | 4-HYDROXY-BENZOIC ACID METHYL ESTER | B,C,D | 2VK0 | 0.75 | |
| MPB | 4-HYDROXY-BENZOIC ACID METHYL ESTER | A,B,D | 3MTH | 0.75 | |
ANN | 4-METHOXYBENZOIC ACID | A | 2B96 | 0.78 | |
| ANN | 4-METHOXYBENZOIC ACID | A | 2QUE | 0.78 | |
| ANN | 4-METHOXYBENZOIC ACID | A | 1SV3 | 0.78 | |
| ANN | 4-METHOXYBENZOIC ACID | A | 1O2E | 0.78 | |
| ANN | 4-METHOXYBENZOIC ACID | A,B,C,D | 3CBI | 0.78 | |
NCZ | 2-HYDROXY-7-METHOXY-5-METHYL-NAPHTHALENE- 1-CARBOXYLIC ACID MESO-2,5-DIHYDROXY- CYCLOPENT-3-ENYL ESTER | A | 1J5I | 0.7 | |
VXX | VANILLATE | A,B | 1WB6 | 0.75 | |
L41 | {4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenoxy}acetic acid | A,B | 3D5F | 0.77 | |
MGI | methyl 4-(2,3-dihydroxy-5-methylphenoxy)- 2-hydroxy-6-methylbenzoate | A | 2ZA0 | 0.71 | |
VII | 2,5-DIPHENYLFURAN-3,4-DICARBOXYLIC ACID | A,B | 2GFK | 0.72 | |
OFF | 2-DEOXY-3,4-BIS-O-[3-(4-HYDROXYPHENYL)PROPANOYL]- L-THREO-PENTARIC ACID | A | 2OFF | 0.71 | |
BRZ | 6-(1,1-DIMETHYLALLYL)-2-(1-HYDROXY- 1-METHYLETHYL)-2,3-DIHYDRO-7H-FURO[3,2- G]CHROMEN-7-ONE | C | 1K3T | 0.7 | |
FLN | 2-PHENYL-4H-CHROMEN-4-ONE | A | 2G0L | 0.7 | |
B21 | 5-(2-METHOXYPHENYL)-2-FUROIC ACID | A | 2Q93 | 0.83 | |
AIN | 2-(ACETYLOXY)BENZOIC ACID | A | 3GCL | 0.74 | |
| AIN | 2-(ACETYLOXY)BENZOIC ACID | A | 2QQT | 0.74 | |
| AIN | 2-(ACETYLOXY)BENZOIC ACID | A | 1TGM | 0.74 | |
| AIN | 2-(ACETYLOXY)BENZOIC ACID | A | 2G5J | 0.74 | |
| AIN | 2-(ACETYLOXY)BENZOIC ACID | A | 1OXR | 0.74 | |
| AIN | 2-(ACETYLOXY)BENZOIC ACID | A | 3HWY | 0.74 | |
SYR | SYRINGATE | A,B | 1WB5 | 0.72 | |
FU2 | FURFURAL | A,B,C,D | 1QXD | 0.73 | |
AI7 | 3-(heptyloxy)benzoic acid | A,B | 2O3Z | 0.75 | |
8MO | METHOXSALEN | A,B,C,D | 1Z11 | 0.77 | |
GW6 | (6alpha,11alpha,14beta,16alpha,17alpha)- 6,9-difluoro-17-{[(fluoromethyl)sulfanyl]carbonyl}- 11-hydroxy-16-methyl-3-oxoandrosta- 1,4-dien-17-yl furan-2-carboxylate | A,B | 3CLD | 0.74 | |
NRO | 3-[5-(2-nitropent-1-en-1-yl)furan- 2-yl]benzoic acid | A,B | 2ZK5 | 0.76 | |
BZF | BENZOFURAN | A | 182L | 0.75 | |
PFI | (6S)-6-CYCLOPENTYL-6-[2-(3-FLUORO- 4-ISOPROPOXYPHENYL)ETHYL]-4-HYDROXY- 5,6-DIHYDRO-2H-PYRAN-2-ONE | A | 2HAI | 0.71 | |
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 | 0.72 | |
EAA | ETHACRYNIC ACID | A,B | 3DGQ | 0.72 | |
| EAA | ETHACRYNIC ACID | A,B | 11GS | 0.72 | |
| EAA | ETHACRYNIC ACID | A,B,C,D | 1GSF | 0.72 | |
| EAA | ETHACRYNIC ACID | A,B | 2GSS | 0.72 | |
| EAA | ETHACRYNIC ACID | A,B | 3GSS | 0.72 | |
| EAA | ETHACRYNIC ACID | A,B | 1GSE | 0.72 | |
LRG | (2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid | A | 3B3K | 0.72 | |
| LRG | (2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid | A | 3D6D | 0.72 | |
SAK | (2S)-5-hydroxy-2-(4-hydroxyphenyl)- 7-methoxy-2,3-dihydro-4H-chromen- 4-one | A,B,C,D,E,F | 3D04 | 0.7 | |
DBA | (2,6-DIMETHYL-PHENOXY)-ACETIC ACID | A,B | 1IDB | 0.73 | |
FOA | 2-FUROIC ACID | A,B | 2GF3 | 0.76 | |
| FOA | 2-FUROIC ACID | A,B,D | 2GAG | 0.76 | |
| FOA | 2-FUROIC ACID | A,B,C,D | 2GAH | 0.76 | |