Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01480253
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 |
694 | 4-BROMO-3-(CARBOXYMETHOXY)-5-(4- HYDROXYPHENYL)THIOPHENE-2-CARBOXYLIC ACID | A | 2H4G | 0.75 | |
U01 | 3-[1-(4-BROMO-PHENYL)-2-METHYL- PROPYL]-4-HYDROXY-CHROMEN-2-ONE | A | 1UPJ | 0.7 | |
SYR | SYRINGATE | A,B | 1WB5 | 0.71 | |
L41 | {4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenoxy}acetic acid | A,B | 3D5F | 0.74 | |
FOA | 2-FUROIC ACID | A,B | 2GF3 | 0.72 | |
FOA | 2-FUROIC ACID | A,B,D | 2GAG | 0.72 | |
FOA | 2-FUROIC ACID | A,B,C,D | 2GAH | 0.72 | |
EAA | ETHACRYNIC ACID | A,B | 3DGQ | 0.71 | |
EAA | ETHACRYNIC ACID | A,B | 11GS | 0.71 | |
EAA | ETHACRYNIC ACID | A,B,C,D | 1GSF | 0.71 | |
EAA | ETHACRYNIC ACID | A,B | 2GSS | 0.71 | |
EAA | ETHACRYNIC ACID | A,B | 3GSS | 0.71 | |
EAA | ETHACRYNIC ACID | A,B | 1GSE | 0.71 | |
FL9 | A,B | 1THC | 0.75 | ||
FC2 | 5-(2,5-DICHLOROPHENYL)-2-FUROIC ACID | A | 2EVM | 0.75 | |
NRO | 3-[5-(2-nitropent-1-en-1-yl)furan- 2-yl]benzoic acid | A,B | 2ZK5 | 0.73 | |
R19 | ALLYL-{6-[3-(4-BROMO-PHENYL)-BENZOFURAN- 6-YLOXY]-HEXYL-}-METHYL-AMIN | A,B,C | 1O6R | 0.7 | |
VNL | 4-HYDROXY-3-METHOXYBENZOATE | A,B,C,D | 2AHC | 0.72 | |
VNL | 4-HYDROXY-3-METHOXYBENZOATE | A | 1XLR | 0.72 | |
FCD | 5-(2-CHLOROPHENYL)FURAN-2-CARBOXYLIC ACID | A | 1XNZ | 0.77 | |
R71 | [4-({6-[ALLYL(METHYL)AMINO]HEXYL}OXY)- 2-FLUOROPHENYL](4-BROMOPHENYL)METHANONE | A | 1W6J | 0.72 | |
R71 | [4-({6-[ALLYL(METHYL)AMINO]HEXYL}OXY)- 2-FLUOROPHENYL](4-BROMOPHENYL)METHANONE | A,B,C | 1GSZ | 0.72 | |
VXX | VANILLATE | A,B | 1WB6 | 0.73 | |
MPB | 4-HYDROXY-BENZOIC ACID METHYL ESTER | B,C,D | 2VK0 | 0.73 | |
MPB | 4-HYDROXY-BENZOIC ACID METHYL ESTER | A,B,D | 3MTH | 0.73 | |
GRR | (2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acid | A | 3CDS | 0.73 | |
A18 | 5-(2-CHLOROBENZYL)-2-FUROIC ACID | A | 2Q96 | 0.78 | |
FL8 | 6,4'-DIHYDROXY-3-METHYL-3',5'-DIBROMOFLAVONE | B,C | 1KGJ | 0.7 | |
AI7 | 3-(heptyloxy)benzoic acid | A,B | 2O3Z | 0.74 | |
DTC | BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2- BENZOPYRONE] | A | 2Z9C | 0.71 | |
DTC | BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2- BENZOPYRONE] | A,B | 1OOQ | 0.71 | |
DTC | BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2- BENZOPYRONE] | A,B,C,D,E,F, G,H | 2F1O | 0.71 | |
R17 | ALLYL-{4-[3-(4-BROMO-PHENYL)-BENZOFURAN- 6-YLOXY]-BUT-2-ENYL}-METHYL-AMINE | A,B,C | 1O6Q | 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 | 0.71 | |
FUX | 5-HYDROXYMETHYL-FURFURAL | A,B,C,D | 1QXE | 0.72 | |
DBA | (2,6-DIMETHYL-PHENOXY)-ACETIC ACID | A,B | 1IDB | 0.7 | |
8MO | METHOXSALEN | A,B,C,D | 1Z11 | 0.75 | |
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 | |
FC3 | 5-[2-(TRIFLUOROMETHYL)PHENYL]-2- FUROIC ACID | A | 2EVC | 0.79 | |
R88 | (4-BROMOPHENYL)[4-({(2E)-4-[CYCLOPROPYL(METHYL)AMINO]BUT- 2-ENYL}OXY)PHENYL]METHANONE | A,B,C | 1H36 | 0.72 | |
A04 | 5-[2-(TRIFLUOROMETHOXY)PHENYL]- 2-FUROIC ACID | A | 2Q94 | 0.77 | |
BZF | BENZOFURAN | A | 182L | 0.73 | |
ANN | 4-METHOXYBENZOIC ACID | A | 2B96 | 0.76 | |
ANN | 4-METHOXYBENZOIC ACID | A | 2QUE | 0.76 | |
ANN | 4-METHOXYBENZOIC ACID | A | 1SV3 | 0.76 | |
ANN | 4-METHOXYBENZOIC ACID | A | 1O2E | 0.76 | |
ANN | 4-METHOXYBENZOIC ACID | A,B,C,D | 3CBI | 0.76 | |
509 | 4-BROMO-3-(CARBOXYMETHOXY)-5-PHENYLTHIOPHENE- 2-CARBOXYLIC ACID | A | 2H4K | 0.76 | |
B21 | 5-(2-METHOXYPHENYL)-2-FUROIC ACID | A | 2Q93 | 0.81 |