Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03483004
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 |
SXX![]() | SINAPINATE | A,B | 1WB4 | 0.77 | ![]() |
4FE![]() | (2E)-3-(3-hydroxy-4-methoxyphenyl)prop- 2-enoic acid | A | 3CBG | 0.81 | ![]() |
PCQ![]() | 3,5,3',5'-TETRACHLORO-BIPHENYL- 4,4'-DIOL | A,B | 1G3M | 0.74 | ![]() |
PCQ![]() | 3,5,3',5'-TETRACHLORO-BIPHENYL- 4,4'-DIOL | A,B | 2G5U | 0.74 | ![]() |
PIT![]() | PICEATANNOL | A,B,C,D,E,F, G,H,I,J,K,L, M,N | 2JJ1 | 0.7 | ![]() |
MBD![]() | 3-METHYLCATECHOL | A | 1KNF | 0.75 | ![]() |
NE1![]() | 2',3,3',4',5-PENTACHLOROBIPHENYL- 4-OL | A,B | 2G9K | 0.71 | ![]() |
VXX![]() | VANILLATE | A,B | 1WB6 | 0.72 | ![]() |
MAX![]() | MATAIRESINOL | A | 2BGM | 0.71 | ![]() |
MPP![]() | 3-(3,4-DIMETHOXYPHENYL)PROPIONIC ACID | A,B | 2AY3 | 0.75 | ![]() |
5PP![]() | 5-PENTYL-2-PHENOXYPHENOL | A,B,C,D,E,F | 2B36 | 0.79 | ![]() |
FER![]() | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A,C,E | 1KYZ | 0.81 | ![]() |
FER![]() | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 1JT2 | 0.81 | ![]() |
FER![]() | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 6ATJ | 0.81 | ![]() |
FER![]() | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A,B | 1GKL | 0.81 | ![]() |
FER![]() | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 1GWT | 0.81 | ![]() |
FER![]() | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A,B,C | 2BJH | 0.81 | ![]() |
FER![]() | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 1GW2 | 0.81 | ![]() |
FER![]() | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 3CBG | 0.81 | ![]() |
FER![]() | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 2BNJ | 0.81 | ![]() |
FER![]() | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A,B | 1UWC | 0.81 | ![]() |
FER![]() | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 7ATJ | 0.81 | ![]() |
2MP![]() | 3,4-DIMETHYLPHENOL | A | 1L5O | 0.7 | ![]() |
HFL![]() | 5-(3,3-DIHYDROXYPROPENY)-3-METHOXY- BENZENE-1,2-DIOL | C,F | 1KYW | 0.78 | ![]() |
8PS![]() | 5-OCTYL-2-PHENOXYPHENOL | A,B,C,D,E,F | 2B37 | 0.79 | ![]() |
JPM![]() | 5-benzyl-2-(2,4-dichlorophenoxy)phenol | A,B,C,D | 3FNF | 0.84 | ![]() |
TCL![]() | TRICLOSAN | A,B,C,D | 2PD3 | 0.8 | ![]() |
TCL![]() | TRICLOSAN | A,B | 1P45 | 0.8 | ![]() |
TCL![]() | TRICLOSAN | A,B,C,D,E,F | 2B35 | 0.8 | ![]() |
TCL![]() | TRICLOSAN | A,B | 1D8A | 0.8 | ![]() |
TCL![]() | TRICLOSAN | A,B | 1C14 | 0.8 | ![]() |
TCL![]() | TRICLOSAN | A,B,C,D | 2QIO | 0.8 | ![]() |
TCL![]() | TRICLOSAN | A,B | 1NHG | 0.8 | ![]() |
TCL![]() | TRICLOSAN | A | 1D7O | 0.8 | ![]() |
TCL![]() | TRICLOSAN | A,B,C,D | 2O2Y | 0.8 | ![]() |
TCL![]() | TRICLOSAN | A,B | 1UH5 | 0.8 | ![]() |
TCL![]() | TRICLOSAN | A,B | 2O2S | 0.8 | ![]() |
TCL![]() | TRICLOSAN | A,B,C,D | 1QG6 | 0.8 | ![]() |
TCL![]() | TRICLOSAN | A,B,C,D,E,F, G,H | 1QSG | 0.8 | ![]() |
TON![]() | 2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOL | A,B | 1SEZ | 0.72 | ![]() |
4HM![]() | 4-HYDROPEROXY-2-METHOXY-PHENOL | A | 1HU9 | 0.71 | ![]() |
JPN![]() | 2-(2,4-DICHLOROPHENOXY)-5-(3-PHENYLPROPYL)PHENOL | A,B | 2OL4 | 0.83 | ![]() |
YRG![]() | (2S)-2-(4-chlorophenoxy)-3-phenylpropanoic acid | A | 3CDP | 0.71 | ![]() |
JPJ![]() | 2-(2,4-DICHLOROPHENOXY)-5-(2-PHENYLETHYL)PHENOL | A,B | 2OOS | 0.83 | ![]() |
JPJ![]() | 2-(2,4-DICHLOROPHENOXY)-5-(2-PHENYLETHYL)PHENOL | A | 3FNH | 0.83 | ![]() |
BP3![]() | 2'-CHLORO-BIPHENYL-2,3-DIOL | A | 1LGT | 0.78 | ![]() |
BP7![]() | 1,1'-BIPHENYL-3,4-DIOL | A | 2EI0 | 0.72 | ![]() |
3C4![]() | (3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID | A,B,C,D | 3E5U | 0.73 | ![]() |
3C4![]() | (3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID | A,B | 3E6B | 0.73 | ![]() |
3C4![]() | (3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID | A,B,C,D | 3E5X | 0.73 | ![]() |
3C4![]() | (3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID | A,B | 2H6B | 0.73 | ![]() |
3C4![]() | (3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID | C | 3E6C | 0.73 | ![]() |
UQ6![]() | 5-(3,7,11,15,19,23-HEXAMETHYL-TETRACOSA- 2,6,10,14,18,22-HEXAENYL)-2,3-DIMETHOXY- 6-METHYL-BENZENE-1,4-DIOL | C,D,E | 1EZV | 0.72 | ![]() |
UQ6![]() | 5-(3,7,11,15,19,23-HEXAMETHYL-TETRACOSA- 2,6,10,14,18,22-HEXAENYL)-2,3-DIMETHOXY- 6-METHYL-BENZENE-1,4-DIOL | A,C,D,E | 1P84 | 0.72 | ![]() |
UQ6![]() | 5-(3,7,11,15,19,23-HEXAMETHYL-TETRACOSA- 2,6,10,14,18,22-HEXAENYL)-2,3-DIMETHOXY- 6-METHYL-BENZENE-1,4-DIOL | C,D,E | 2IBZ | 0.72 | ![]() |
UQ6![]() | 5-(3,7,11,15,19,23-HEXAMETHYL-TETRACOSA- 2,6,10,14,18,22-HEXAENYL)-2,3-DIMETHOXY- 6-METHYL-BENZENE-1,4-DIOL | A,C,D,E | 1KB9 | 0.72 | ![]() |
SC4![]() | 1[2-CHLORO-4-METHOXY-PHENYL-OXYMETHYL]- 4-[2,6-DICHLORO-PHENYL-OXYMETHYL]- BENZENE | 1,4 | 1EAH | 0.74 | ![]() |
SC4![]() | 1[2-CHLORO-4-METHOXY-PHENYL-OXYMETHYL]- 4-[2,6-DICHLORO-PHENYL-OXYMETHYL]- BENZENE | 1,4 | 3EPF | 0.74 | ![]() |
8CM![]() | 8-HYDROXYCOUMARIN | A | 2H8Z | 0.72 | ![]() |
ESM![]() | 1,3,5(10)-ESTRATRIEN-2,3,17-BETA- TRIOL 2-METHYL ETHER | A | 1LHW | 0.72 | ![]() |
CFA![]() | (2,4-DICHLOROPHENOXY)ACETIC ACID | B,E | 2P1N | 0.71 | ![]() |
MCT![]() | 4-METHYLCATECHOL | A | 1L4G | 0.77 | ![]() |
MCT![]() | 4-METHYLCATECHOL | A | 2EHZ | 0.77 | ![]() |
MCT![]() | 4-METHYLCATECHOL | A,B | 1DMH | 0.77 | ![]() |
2CH![]() | 2-CHLOROPHENOL | A | 1WBO | 0.71 | ![]() |
BPY![]() | BIPHENYL-2,3-DIOL | A | 1KMY | 0.71 | ![]() |
BPY![]() | BIPHENYL-2,3-DIOL | B | 1KW8 | 0.71 | ![]() |
BPY![]() | BIPHENYL-2,3-DIOL | A | 2EI3 | 0.71 | ![]() |
BPY![]() | BIPHENYL-2,3-DIOL | A | 1EIR | 0.71 | ![]() |
BPY![]() | BIPHENYL-2,3-DIOL | B | 1KW6 | 0.71 | ![]() |
BPY![]() | BIPHENYL-2,3-DIOL | B | 1KWC | 0.71 | ![]() |
BPY![]() | BIPHENYL-2,3-DIOL | B | 1KW9 | 0.71 | ![]() |
BP6![]() | 2',6'-DICHLORO-BIPHENYL-2,6-DIOL | A | 1LKD | 0.76 | ![]() |
EMF![]() | ethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylate | A,B | 2QZZ | 0.74 | ![]() |
EMF![]() | ethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylate | A,B | 2R2G | 0.74 | ![]() |
DCN![]() | DICLOSAN | A,B,C,D | 2PD4 | 0.8 | ![]() |
JPA![]() | 4-(2,4-DICHLOROPHENOXY)-2'-METHYLBIPHENYL- 3-OL | A,B | 2FOI | 0.83 | ![]() |
JPL![]() | 5-(cyclohexa-1,5-dien-1-ylmethyl)- 2-(2,4-dichlorophenoxy)phenol | A | 3FNG | 0.84 | ![]() |
261![]() | 2-ethoxyphenol | X | 2RB1 | 0.76 | ![]() |
TCT![]() | 6-(4-CHLORO-2-HYDROXY-PHENOXY)- NAPHTHALEN-2-OL | A,B | 1NNU | 0.81 | ![]() |
NE2![]() | 3,3',4',5-TETRACHLOROBIPHENYL-4- OL | A,B | 2GAB | 0.71 | ![]() |
DHC![]() | CAFFEIC ACID | A,B,C,D,E,F, G,H | 2O7D | 0.71 | ![]() |
DHC![]() | CAFFEIC ACID | A | 1KOU | 0.71 | ![]() |
4NA![]() | 1-CHLORO-6-(4-HYDROXYPHENYL)-2- NAPHTHOL | A,B | 1YY4 | 0.71 | ![]() |
FX3![]() | 5-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop- 2-enoyl]-alpha-L-ribofuranose | A | 2VGD | 0.72 | ![]() |
VNL![]() | 4-HYDROXY-3-METHOXYBENZOATE | A,B,C,D | 2AHC | 0.71 | ![]() |
VNL![]() | 4-HYDROXY-3-METHOXYBENZOATE | A | 1XLR | 0.71 | ![]() |
V55![]() | 4-hydroxy-3-methoxybenzaldehyde | B,D,E,F | 2VSS | 0.75 | ![]() |
V55![]() | 4-hydroxy-3-methoxybenzaldehyde | A,B,D,E,F | 2VSU | 0.75 | ![]() |
IH5![]() | [4-(4-HYDROXY-3-ISOPROPYLPHENOXY)- 3,5-DIMETHYLPHENYL]ACETIC ACID | A | 1NAV | 0.72 | ![]() |
IH5![]() | [4-(4-HYDROXY-3-ISOPROPYLPHENOXY)- 3,5-DIMETHYLPHENYL]ACETIC ACID | A | 1NAX | 0.72 | ![]() |
43M![]() | 4-CHLORO-3-METHYLPHENOL | A | 2P7A | 0.76 | ![]() |
EUG![]() | 2-METHOXY-4-VINYL-PHENOL | A | 2QU9 | 0.88 | ![]() |
EUG![]() | 2-METHOXY-4-VINYL-PHENOL | A,B | 1QLU | 0.88 | ![]() |
EUG![]() | 2-METHOXY-4-VINYL-PHENOL | A,B | 1W1J | 0.88 | ![]() |
EUG![]() | 2-METHOXY-4-VINYL-PHENOL | A,B | 2VAO | 0.88 | ![]() |
EUG![]() | 2-METHOXY-4-VINYL-PHENOL | A,B | 1W1K | 0.88 | ![]() |
EUG![]() | 2-METHOXY-4-VINYL-PHENOL | A,B | 1DZN | 0.88 | ![]() |
EUG![]() | 2-METHOXY-4-VINYL-PHENOL | A,B | 1W1L | 0.88 | ![]() |
EUG![]() | 2-METHOXY-4-VINYL-PHENOL | A,B | 1W1M | 0.88 | ![]() |
34C![]() | (3-CHLORO-4-PROPOXY-PHENYL)-ACETIC ACID | A,B | 1HT8 | 0.77 | ![]() |
CRS![]() | M-CRESOL | A,B,C,D | 1EV3 | 0.71 | ![]() |
CRS![]() | M-CRESOL | A,B,C,D,E,F | 2OMG | 0.71 | ![]() |
CRS![]() | M-CRESOL | A,B | 1UZ9 | 0.71 | ![]() |
CRS![]() | M-CRESOL | A,B,C,D | 1ZEH | 0.71 | ![]() |
CRS![]() | M-CRESOL | A,B,C,D,E,F | 1ZEI | 0.71 | ![]() |
CRS![]() | M-CRESOL | A,C,D,E | 7INS | 0.71 | ![]() |
CRS![]() | M-CRESOL | A,B,C,D,E,G, I,K | 1EV6 | 0.71 | ![]() |