Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01799428
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 |
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 | 0.84 | |
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 | 0.84 | |
DIC | 3,4-DICHLOROISOCOUMARIN | A | 1DIC | 0.73 | |
VII | 2,5-DIPHENYLFURAN-3,4-DICARBOXYLIC ACID | A,B | 2GFK | 0.73 | |
NIU | 6,7,8,9-TETRAHYDRO-4-HYDROXY-3- (1-PHENYLPROPYL)CYCLOHEPTA[B]PYRAN- 2-ONE | A | 6UPJ | 0.71 | |
BHF | 2-PHENYL-4H-BENZO[H]CHROMEN-4-ONE | A | 2HI4 | 0.72 | |
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 | |
BCG | 3-(BENZOYLOXY)-8-METHYL-8-AZABICYCLO[3.2.1]OCTANE- 2-CARBOXYLIC ACID | H | 1QYG | 0.71 | |
MOA | MYCOPHENOLIC ACID | A | 1ME7 | 0.72 | |
MOA | MYCOPHENOLIC ACID | A,B | 1JR1 | 0.72 | |
MOA | MYCOPHENOLIC ACID | A | 1MEI | 0.72 | |
MOA | MYCOPHENOLIC ACID | A | 1MEH | 0.72 | |
AKV | {3-[(1R,3S)-1,3-DIHYDROXYPENTYL]- 4,5,9,10-TETRAHYDROXY-2-ANTHRYL}ACETATE | A,B,C,D | 2F99 | 0.73 | |
ZCT | A,B,C,D,E,F, G,H | 3B6A | 0.7 | ||
DBF | DIBENZOFURAN-4,6-DICARBOXYLIC ACID | B | 1DVU | 0.71 | |
FL2 | FLURBIPROFEN METHYL ESTER | A,B | 1HT5 | 0.73 | |
AI7 | 3-(heptyloxy)benzoic acid | A,B | 2O3Z | 0.71 | |
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 | 0.76 | |
CIN | 4-CARBOXYCINNAMIC ACID | A,B,C,D | 1HAB | 0.71 | |
CIN | 4-CARBOXYCINNAMIC ACID | A,B | 1T6J | 0.71 | |
TTB | 4-[(1E)-2-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRONAPHTHALEN-2- YL)PROP-1-ENYL]BENZOIC ACID | A | 1XAP | 0.77 | |
COC | COCAINE | A,C | 1I7Z | 0.72 | |
COC | COCAINE | H | 1Q72 | 0.72 | |
COC | COCAINE | L | 2AJV | 0.72 | |
COC | COCAINE | A,B,C,D,E | 2PGZ | 0.72 | |
PHT | PHTHALIC ACID | A,B,C | 2B7P | 0.72 | |
PHT | PHTHALIC ACID | A | 3C2V | 0.72 | |
PHT | PHTHALIC ACID | A,B,C,D,E,F | 1QPR | 0.72 | |
PHT | PHTHALIC ACID | A,B | 3C2R | 0.72 | |
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 | |
BFL | A,B | 1Q4G | 0.7 | ||
BZM | BENZOIC ACID PHENYLMETHYLESTER | A,B | 1DZM | 0.83 | |
564 | 6-(5,5,8,8-TETRAMETHYL-5,6,7,8- TETRAHYDRO-NAPHTALENE-2-CARBONYL)- NAPHTALENE-2-CARBOXYLIC ACID | A | 1FCY | 0.76 | |
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 | 0.73 | |
26C | A,B | 2F7I | 0.74 | ||
NGV | METHYL 5,7-DIHYDROXY-2-METHYL-4,6,11- TRIOXO-3,4,6,11-TETRAHYDROTETRACENE- 1-CARBOXYLATE | A,B,C,D | 2F98 | 0.71 | |
NGV | METHYL 5,7-DIHYDROXY-2-METHYL-4,6,11- TRIOXO-3,4,6,11-TETRAHYDROTETRACENE- 1-CARBOXYLATE | A | 1SJW | 0.71 | |
OST | METHYL (2Z)-3-METHOXY-2-{2-[(E)- 2-PHENYLVINYL]PHENYL}ACRYLATE | C,D,E | 1SQQ | 0.8 | |
UIN | 5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY- 3-(1-PHENYLPROPYL)CYCLOOCTA[B]PYRAN- 2-ONE | B | 5UPJ | 0.71 | |
OSB | 2-SUCCINYLBENZOATE | A | 1FHV | 0.75 | |
OSB | 2-SUCCINYLBENZOATE | A,B,C,D | 1SJB | 0.75 | |
OSB | 2-SUCCINYLBENZOATE | A,B | 2QVH | 0.75 | |
TRZ | TRAZEOLIDE | A | 1C12 | 0.74 | |
S1A | SORAPHEN A | A,B | 3GID | 0.71 | |
S1A | SORAPHEN A | A,B,C | 1W96 | 0.71 | |
NDD | 2,6-DICARBOXYNAPHTHALENE | A | 1U4O | 0.75 | |
NDD | 2,6-DICARBOXYNAPHTHALENE | A,B,C,D | 1HAC | 0.75 | |
ADL | (1,8-DIHYDROXY-9-OXO-9,10-DIHYDRO- ANTHRACEN-2-YL)-ACETIC ACID | A,B | 1N5S | 0.71 | |
OAL | (1,8-DIHYDROXY-9,10-DIOXO-9,10- DIHYDRO-ANTHRACEN-2-YL)-ACETIC ACID | B | 1N5T | 0.71 | |
ELI | 6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN- 2-YL)HEXANOIC ACID | A,B | 2GH5 | 0.72 | |
NOM | 7-HYDROXY-5-METHYL-3,3A,5,11B-TETRAHYDRO- 1,4-DIOXA-CYCLOPENTA[A]ANTHRACENE- 2,6,11-TRIONE | A | 1N5V | 0.73 | |
FBC | A,B | 2B9A | 0.74 | ||
HZ3 | dimethyl (1R,4S)-5,6-bis(4-hydroxyphenyl)- 7-oxabicyclo[2.2.1]hepta-2,5-diene- 2,3-dicarboxylate | A,B | 2QR9 | 0.73 | |
SDN | [(3S)-9-hydroxy-1-methyl-10-oxo- 4,10-dihydro-3H-benzo[g]isochromen- 3-yl]acetic acid | A,B | 3B6C | 0.7 | |
4MA | 4-METHYLBENZOIC ACID | A,H | 2HRG | 0.72 | |
1NH | (2E,6E)-8-[(3-BENZOYLBENZYL)OXY]- 3,7-DIMETHYLOCTA-2,6-DIENYL TRIHYDROGEN DIPHOSPHATE | B | 1O1S | 0.8 | |
4FC | A | 1YSG | 0.75 | ||
FLN | 2-PHENYL-4H-CHROMEN-4-ONE | A | 2G0L | 0.71 |