Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02495652
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 |
S1A | SORAPHEN A | A,B | 3GID | 0.73 | |
S1A | SORAPHEN A | A,B,C | 1W96 | 0.73 | |
HOM | 7-HYDROXY-4-METHYL-3-(2-HYDROXY- ETHYL)COUMARIN | C,D | 1CJF | 0.72 | |
DZN | DAIDZIN | A,B,C,D,E,F, G,H | 2VLE | 0.71 | |
HZ3 | dimethyl (1R,4S)-5,6-bis(4-hydroxyphenyl)- 7-oxabicyclo[2.2.1]hepta-2,5-diene- 2,3-dicarboxylate | A,B | 2QR9 | 0.71 | |
MPB | 4-HYDROXY-BENZOIC ACID METHYL ESTER | B,C,D | 2VK0 | 0.74 | |
MPB | 4-HYDROXY-BENZOIC ACID METHYL ESTER | A,B,D | 3MTH | 0.74 | |
WRR | 4-HYDROXY-3-[(1S,3R)-3-HYDROXY- 1-PHENYLBUTYL]-2H-CHROMEN-2-ONE | A | 1H9Z | 0.7 | |
MUG | 4-METHYLUMBELLIFERYL-ALPHA-D-GLUCOSE | A,B,C,D | 1CJP | 0.72 | |
AFN | 8,9-DIHYDRO-9-HYDROXY-AFLATOXIN B1 | A | 1N1N | 0.73 | |
VNL | 4-HYDROXY-3-METHOXYBENZOATE | A,B,C,D | 2AHC | 0.72 | |
VNL | 4-HYDROXY-3-METHOXYBENZOATE | A | 1XLR | 0.72 | |
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 | 0.71 | |
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 | |
WRS | 4-HYDROXY-3-[(1S,3S)-3-HYDROXY- 1-PHENYLBUTYL]-2H-CHROMEN-2-ONE | A | 1HA2 | 0.7 | |
STG | ESTRIOL 3-(B-D-GLUCURONIDE) | H | 2BFV | 0.71 | |
STG | ESTRIOL 3-(B-D-GLUCURONIDE) | H,L | 1BFV | 0.71 | |
HHH | (2S)-hydroxy(4-hydroxyphenyl)ethanoic acid | A,B | 2R5V | 0.72 | |
NOM | 7-HYDROXY-5-METHYL-3,3A,5,11B-TETRAHYDRO- 1,4-DIOXA-CYCLOPENTA[A]ANTHRACENE- 2,6,11-TRIONE | A | 1N5V | 0.72 | |
SYR | SYRINGATE | A,B | 1WB5 | 0.72 | |
DHB | 3,4-DIHYDROXYBENZOIC ACID | B | 2BV0 | 0.71 | |
DHB | 3,4-DIHYDROXYBENZOIC ACID | A,B,D,F,H,J,L | 1YKP | 0.71 | |
DHB | 3,4-DIHYDROXYBENZOIC ACID | A | 1N8Q | 0.71 | |
DHB | 3,4-DIHYDROXYBENZOIC ACID | A,B | 2BSL | 0.71 | |
DHB | 3,4-DIHYDROXYBENZOIC ACID | B,D,F,H,J,L | 1YKL | 0.71 | |
DHB | 3,4-DIHYDROXYBENZOIC ACID | B,D | 1B4U | 0.71 | |
DHB | 3,4-DIHYDROXYBENZOIC ACID | A | 3DX5 | 0.71 | |
DHB | 3,4-DIHYDROXYBENZOIC ACID | M,N,O,P,Q,R | 3PCA | 0.71 | |
DHB | 3,4-DIHYDROXYBENZOIC ACID | B,D,F,H,J,L | 1YKN | 0.71 | |
DHB | 3,4-DIHYDROXYBENZOIC ACID | B | 1EOB | 0.71 | |
DHB | 3,4-DIHYDROXYBENZOIC ACID | A | 1PHH | 0.71 | |
DHB | 3,4-DIHYDROXYBENZOIC ACID | B | 2BUV | 0.71 | |
OFF | 2-DEOXY-3,4-BIS-O-[3-(4-HYDROXYPHENYL)PROPANOYL]- L-THREO-PENTARIC ACID | A | 2OFF | 0.77 | |
FX3 | 5-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop- 2-enoyl]-alpha-L-ribofuranose | A | 2VGD | 0.77 | |
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 | 0.72 | |
ANN | 4-METHOXYBENZOIC ACID | A | 2B96 | 0.71 | |
ANN | 4-METHOXYBENZOIC ACID | A | 2QUE | 0.71 | |
ANN | 4-METHOXYBENZOIC ACID | A | 1SV3 | 0.71 | |
ANN | 4-METHOXYBENZOIC ACID | A | 1O2E | 0.71 | |
ANN | 4-METHOXYBENZOIC ACID | A,B,C,D | 3CBI | 0.71 | |
2HI | (2S,3R)-2,7-DIHYDROXY-3-(4-HYDROXYPHENYL)- 2,3-DIHYDRO-4H-CHROMEN-4-ONE | A | 1ZG3 | 0.72 |