Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01243316
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 |
EAA![]() | ETHACRYNIC ACID | A,B | 3DGQ | 0.8 | ![]() |
EAA![]() | ETHACRYNIC ACID | A,B | 11GS | 0.8 | ![]() |
EAA![]() | ETHACRYNIC ACID | A,B,C,D | 1GSF | 0.8 | ![]() |
EAA![]() | ETHACRYNIC ACID | A,B | 2GSS | 0.8 | ![]() |
EAA![]() | ETHACRYNIC ACID | A,B | 3GSS | 0.8 | ![]() |
EAA![]() | ETHACRYNIC ACID | A,B | 1GSE | 0.8 | ![]() |
FCD![]() | 5-(2-CHLOROPHENYL)FURAN-2-CARBOXYLIC ACID | A | 1XNZ | 0.73 | ![]() |
C17![]() | 7-[(3-CHLOROBENZYL)OXY]-2-OXO-2H- CHROMENE-4-CARBALDEHYDE | A,B | 2V60 | 0.74 | ![]() |
DHB![]() | 3,4-DIHYDROXYBENZOIC ACID | B | 2BV0 | 0.72 | ![]() |
DHB![]() | 3,4-DIHYDROXYBENZOIC ACID | A,B,D,F,H,J,L | 1YKP | 0.72 | ![]() |
DHB![]() | 3,4-DIHYDROXYBENZOIC ACID | A | 1N8Q | 0.72 | ![]() |
DHB![]() | 3,4-DIHYDROXYBENZOIC ACID | A,B | 2BSL | 0.72 | ![]() |
DHB![]() | 3,4-DIHYDROXYBENZOIC ACID | B,D,F,H,J,L | 1YKL | 0.72 | ![]() |
DHB![]() | 3,4-DIHYDROXYBENZOIC ACID | B,D | 1B4U | 0.72 | ![]() |
DHB![]() | 3,4-DIHYDROXYBENZOIC ACID | A | 3DX5 | 0.72 | ![]() |
DHB![]() | 3,4-DIHYDROXYBENZOIC ACID | M,N,O,P,Q,R | 3PCA | 0.72 | ![]() |
DHB![]() | 3,4-DIHYDROXYBENZOIC ACID | B,D,F,H,J,L | 1YKN | 0.72 | ![]() |
DHB![]() | 3,4-DIHYDROXYBENZOIC ACID | B | 1EOB | 0.72 | ![]() |
DHB![]() | 3,4-DIHYDROXYBENZOIC ACID | A | 1PHH | 0.72 | ![]() |
DHB![]() | 3,4-DIHYDROXYBENZOIC ACID | B | 2BUV | 0.72 | ![]() |
FC2![]() | 5-(2,5-DICHLOROPHENYL)-2-FUROIC ACID | A | 2EVM | 0.73 | ![]() |
HIB![]() | 4-HYDROXY-5-IODO-2,3-DIMETHOXY- 6-METHYLBENZOIC ACID | A | 2PIK | 0.72 | ![]() |
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 | ![]() |
L1O![]() | 4-(2-aminoethoxy)-3,5-dichlorobenzoic acid | A | 2VIO | 0.77 | ![]() |
CHB![]() | 3-CHLORO-4-HYDROXYBENZOIC ACID | M,N,O,P,Q,R | 3PCH | 0.77 | ![]() |
FER![]() | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A,C,E | 1KYZ | 0.72 | ![]() |
FER![]() | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 1JT2 | 0.72 | ![]() |
FER![]() | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 6ATJ | 0.72 | ![]() |
FER![]() | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A,B | 1GKL | 0.72 | ![]() |
FER![]() | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 1GWT | 0.72 | ![]() |
FER![]() | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A,B,C | 2BJH | 0.72 | ![]() |
FER![]() | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 1GW2 | 0.72 | ![]() |
FER![]() | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 3CBG | 0.72 | ![]() |
FER![]() | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 2BNJ | 0.72 | ![]() |
FER![]() | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A,B | 1UWC | 0.72 | ![]() |
FER![]() | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 7ATJ | 0.72 | ![]() |
AI7![]() | 3-(heptyloxy)benzoic acid | A,B | 2O3Z | 0.74 | ![]() |
A15![]() | 3'-3"-DICHLOROPHENOL-1,8-3H-BENZO[DE]ISOCHROMEN- 1-ONE | A | 1TSL | 0.71 | ![]() |
IH5![]() | [4-(4-HYDROXY-3-ISOPROPYLPHENOXY)- 3,5-DIMETHYLPHENYL]ACETIC ACID | A | 1NAV | 0.74 | ![]() |
IH5![]() | [4-(4-HYDROXY-3-ISOPROPYLPHENOXY)- 3,5-DIMETHYLPHENYL]ACETIC ACID | A | 1NAX | 0.74 | ![]() |
4FE![]() | (2E)-3-(3-hydroxy-4-methoxyphenyl)prop- 2-enoic acid | A | 3CBG | 0.72 | ![]() |
3C4![]() | (3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID | A,B,C,D | 3E5U | 0.71 | ![]() |
3C4![]() | (3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID | A,B | 3E6B | 0.71 | ![]() |
3C4![]() | (3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID | A,B,C,D | 3E5X | 0.71 | ![]() |
3C4![]() | (3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID | A,B | 2H6B | 0.71 | ![]() |
3C4![]() | (3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID | C | 3E6C | 0.71 | ![]() |
M1S![]() | (5E)-14-CHLORO-15,17-DIHYDROXY- 4,7,8,9,10,11-HEXAHYDRO-2-BENZOXACYCLOPENTADECINE- 1,12(3H,13H)-DIONE | A | 2IWX | 0.73 | ![]() |
300![]() | 2-FORMYL-6-METHOXYPHENYL DIHYDROGEN PHOSPHATE | A | 1O41 | 0.72 | ![]() |
34C![]() | (3-CHLORO-4-PROPOXY-PHENYL)-ACETIC ACID | A,B | 1HT8 | 0.78 | ![]() |
MGI![]() | methyl 4-(2,3-dihydroxy-5-methylphenoxy)- 2-hydroxy-6-methylbenzoate | A | 2ZA0 | 0.72 | ![]() |
A18![]() | 5-(2-CHLOROBENZYL)-2-FUROIC ACID | A | 2Q96 | 0.74 | ![]() |