Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02440041
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 |
OSB![]() | 2-SUCCINYLBENZOATE | A | 1FHV | 0.71 | ![]() |
OSB![]() | 2-SUCCINYLBENZOATE | A,B,C,D | 1SJB | 0.71 | ![]() |
OSB![]() | 2-SUCCINYLBENZOATE | A,B | 2QVH | 0.71 | ![]() |
ENM![]() | (5S,8R,9S,10S,13R,14S,17S)-13-{2- [(3,5-DIFLUOROBENZYL)OXY]ETHYL}- 17-HYDROXY-10-METHYLHEXADECAHYDRO- 3H-CYCLOPENTA[A]PHENANTHREN-3-ONE | A | 2PNU | 0.72 | ![]() |
BNA![]() | BIS-(NAPHTHYL-1-METHYL) ACETIC ACID | I | 4ER1 | 0.78 | ![]() |
BNA![]() | BIS-(NAPHTHYL-1-METHYL) ACETIC ACID | A | 1FQ5 | 0.78 | ![]() |
EQU![]() | EQUILENIN | A,B | 1OGX | 0.74 | ![]() |
EQU![]() | EQUILENIN | A,B,C,D,E,F | 1QJG | 0.74 | ![]() |
EQU![]() | EQUILENIN | A,B | 1OH0 | 0.74 | ![]() |
EQU![]() | EQUILENIN | A | 1W6Y | 0.74 | ![]() |
EQU![]() | EQUILENIN | A,B | 1CQS | 0.74 | ![]() |
EQU![]() | EQUILENIN | A | 1OGZ | 0.74 | ![]() |
EQU![]() | EQUILENIN | A | 1GS3 | 0.74 | ![]() |
EQU![]() | EQUILENIN | A | 1OHO | 0.74 | ![]() |
AN1![]() | 3-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACID | H,Y | 1LO3 | 0.81 | ![]() |
FBC![]() | A,B | 2B9A | 0.71 | ![]() | |
NIU![]() | 6,7,8,9-TETRAHYDRO-4-HYDROXY-3- (1-PHENYLPROPYL)CYCLOHEPTA[B]PYRAN- 2-ONE | A | 6UPJ | 0.71 | ![]() |
254![]() | 6-[HYDROXYIMINO-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTALEN-2- YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID | A | 1FD0 | 0.72 | ![]() |
OX1![]() | H,Y | 1LO2 | 0.8 | ![]() | |
184![]() | 6-[HYDROXY-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTALEN-2- YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID | A | 1FCX | 0.77 | ![]() |
BZM![]() | BENZOIC ACID PHENYLMETHYLESTER | A,B | 1DZM | 0.75 | ![]() |
2DM![]() | 2-HYDROXY-3-(PYREN-1-YLMETHOXY)PROPYL DIHYDROGEN PHOSPHATE | A,B | 1S88 | 0.73 | ![]() |
26C![]() | A,B | 2F7I | 0.71 | ![]() | |
BHF![]() | 2-PHENYL-4H-BENZO[H]CHROMEN-4-ONE | A | 2HI4 | 0.73 | ![]() |
2E3![]() | (2E)-3-[4-hydroxy-3-(3,5,5,8,8- pentamethyl-5,6,7,8-tetrahydronaphthalen- 2-yl)phenyl]prop-2-enoic acid | A | 3FUG | 0.71 | ![]() |
IBP![]() | IBUPROFEN | A | 3FKX | 0.7 | ![]() |
IBP![]() | IBUPROFEN | A,B | 2BXG | 0.7 | ![]() |
IBP![]() | IBUPROFEN | A,B | 1EQG | 0.7 | ![]() |
IBP![]() | IBUPROFEN | A,B,C | 2WD9 | 0.7 | ![]() |
IBP![]() | IBUPROFEN | A | 2PWS | 0.7 | ![]() |
DIC![]() | 3,4-DICHLOROISOCOUMARIN | A | 1DIC | 0.7 | ![]() |
OST![]() | METHYL (2Z)-3-METHOXY-2-{2-[(E)- 2-PHENYLVINYL]PHENYL}ACRYLATE | C,D,E | 1SQQ | 0.75 | ![]() |
NLA![]() | NAPHTHALEN-1-YL-ACETIC ACID | A,B,C,D | 1LRH | 0.79 | ![]() |
NLA![]() | NAPHTHALEN-1-YL-ACETIC ACID | B | 2P1O | 0.79 | ![]() |
FL2![]() | FLURBIPROFEN METHYL ESTER | A,B | 1HT5 | 0.73 | ![]() |
564![]() | 6-(5,5,8,8-TETRAMETHYL-5,6,7,8- TETRAHYDRO-NAPHTALENE-2-CARBONYL)- NAPHTALENE-2-CARBOXYLIC ACID | A | 1FCY | 0.79 | ![]() |
4FC![]() | A | 1YSG | 0.72 | ![]() | |
PYP![]() | 2'-DEOXYRIBOFURANOSYLPYRENE-5'- MONOPHOSPHATE | A,B | 1FZS | 0.72 | ![]() |
PYP![]() | 2'-DEOXYRIBOFURANOSYLPYRENE-5'- MONOPHOSPHATE | A,B | 1FZL | 0.72 | ![]() |
L79![]() | (S)-(2E)-3[4-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-2-NAPHTHALENYL)TETRAHYDRO- 1-BENZOFURAN-2-YL]-2-PROPENOIC ACID | A,D | 1RDT | 0.74 | ![]() |
NDD![]() | 2,6-DICARBOXYNAPHTHALENE | A | 1U4O | 0.78 | ![]() |
NDD![]() | 2,6-DICARBOXYNAPHTHALENE | A,B,C,D | 1HAC | 0.78 | ![]() |
156![]() | 4-[3-OXO-3-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTHALEN-2- YL)-PROPENYL]-BENZOIC ACID | A | 1FCZ | 0.79 | ![]() |
973![]() | (5Z)-3-(4-CHLOROPHENYL)-4-HYDROXY- 5-(1-NAPHTHYLMETHYLENE)FURAN-2(5H)- ONE | A | 2Q85 | 0.75 | ![]() |
BM6![]() | 4-[2-(5,5,8,8-TETRAMETHYL-5,6,7,8- TETRAHYDRO-NAPHTHALEN-2-YL)-[1,3]DIOXOLAN- 2-YL]-BENZOIC ACID | A | 1MVC | 0.83 | ![]() |
BM6![]() | 4-[2-(5,5,8,8-TETRAMETHYL-5,6,7,8- TETRAHYDRO-NAPHTHALEN-2-YL)-[1,3]DIOXOLAN- 2-YL]-BENZOIC ACID | A,C,E,G | 1MZN | 0.83 | ![]() |
2NA![]() | naphthalen-2-ylmethanol | A,B,C | 3EE5 | 0.71 | ![]() |
MAX![]() | MATAIRESINOL | A | 2BGM | 0.7 | ![]() |
BFL![]() | A,B | 1Q4G | 0.72 | ![]() | |
TBT![]() | 8,9,10,11-TETRAHYDRO-BENZO[A]ANTHRACENE- 8,9,10-TRIOL | A | 1DJD | 0.71 | ![]() |
BZA![]() | 1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL | A | 1DL4 | 0.71 | ![]() |
BZA![]() | 1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL | A | 1I7V | 0.71 | ![]() |
BZA![]() | 1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL | A | 1QBY | 0.71 | ![]() |
BPJ![]() | (1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL | A | 2ROU | 0.71 | ![]() |
BPJ![]() | (1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL | A | 1HX4 | 0.71 | ![]() |
LLG![]() | 2-aminoethyl naphthalen-1-ylacetate | A | 3BC4 | 0.74 | ![]() |
UIN![]() | 5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY- 3-(1-PHENYLPROPYL)CYCLOOCTA[B]PYRAN- 2-ONE | B | 5UPJ | 0.71 | ![]() |
DFA![]() | DIPHENYLACETIC ACID | A,B,C | 1GMY | 0.72 | ![]() |
APG![]() | ATROLACTIC ACID (2-PHENYL-LACTIC ACID) | A | 1MRA | 0.71 | ![]() |
APG![]() | ATROLACTIC ACID (2-PHENYL-LACTIC ACID) | A | 1MNS | 0.71 | ![]() |
APG![]() | ATROLACTIC ACID (2-PHENYL-LACTIC ACID) | A | 1DTN | 0.71 | ![]() |
APG![]() | ATROLACTIC ACID (2-PHENYL-LACTIC ACID) | A | 1MDR | 0.71 | ![]() |
BPI![]() | (1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL | A,P,T | 2I9G | 0.71 | ![]() |
BPI![]() | (1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL | A | 1HWV | 0.71 | ![]() |
BZR![]() | 1S,2R,3S,4R-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL | A | 1MXJ | 0.71 | ![]() |
ADL![]() | (1,8-DIHYDROXY-9-OXO-9,10-DIHYDRO- ANTHRACEN-2-YL)-ACETIC ACID | A,B | 1N5S | 0.71 | ![]() |
NPS![]() | (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid | A | 2VDB | 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 | ![]() |
TTB![]() | 4-[(1E)-2-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRONAPHTHALEN-2- YL)PROP-1-ENYL]BENZOIC ACID | A | 1XAP | 0.79 | ![]() |
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 | ![]() |
PIC![]() | 6-(DIFLUORO-PHOSPHONO-METHYL)-NAPHTHALENE- 2-CARBOXYLIC ACID | A | 1BZJ | 0.72 | ![]() |