Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03076576
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 |
564![]() | 6-(5,5,8,8-TETRAMETHYL-5,6,7,8- TETRAHYDRO-NAPHTALENE-2-CARBONYL)- NAPHTALENE-2-CARBOXYLIC ACID | A | 1FCY | 0.77 | ![]() |
961![]() | 3-FLUORO-4-[2-HYDROXY-2-(5,5,8,8- TETRAMETHYL-5,6,7,8,-TETRAHYDRO- NAPHTALEN-2-YL)-ACETYLAMINO]-BENZOIC ACID | A | 4LBD | 0.73 | ![]() |
961![]() | 3-FLUORO-4-[2-HYDROXY-2-(5,5,8,8- TETRAMETHYL-5,6,7,8,-TETRAHYDRO- NAPHTALEN-2-YL)-ACETYLAMINO]-BENZOIC ACID | A | 1EXX | 0.73 | ![]() |
072![]() | (+/-)(2S,5S)-3-(4-(4-CARBOXYPHENYL)BUTYL)- 2-HEPTYL-4-OXO-5-THIAZOLIDINE | A,B,C,D | 4PRG | 0.71 | ![]() |
4FC![]() | A | 1YSG | 0.71 | ![]() | |
184![]() | 6-[HYDROXY-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTALEN-2- YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID | A | 1FCX | 0.75 | ![]() |
BR4![]() | 6-PHENYL-4(R)-(7-PHENYL-HEPTANOYLAMINO)- HEXANOIC ACID | A | 1KQU | 0.71 | ![]() |
4BA![]() | 4-[(2-CARBOXY-ETHYLAMINO)-METHYL]- BENZOIC ACID | C | 1FAV | 0.72 | ![]() |
23C![]() | 2-[(1R)-1-carboxy-2-naphthalen- 1-ylethyl]-1,3-dioxo-2,3-dihydro- 1H-isoindole-5-carboxylic acid | A,B | 2R9W | 0.72 | ![]() |
761![]() | 3-(OXALYL-AMINO)-NAPHTHALENE-2- CARBOXYLIC ACID | A | 1C84 | 0.7 | ![]() |
A80![]() | N-(5,5,8,8-TETRAMETHYL-5,8-DIHYDRO- NAPHTHALEN-2-YL)-TEREPHTHALAMIC ACID | A | 2CBR | 0.79 | ![]() |
HOP![]() | (1S,2S,5S)2-(4-GLUTARIDYLBENZYL)- 5-PHENYL-1-CYCLOHEXANOL | H,L | 1D6V | 0.74 | ![]() |
HOP![]() | (1S,2S,5S)2-(4-GLUTARIDYLBENZYL)- 5-PHENYL-1-CYCLOHEXANOL | A,B,H,L | 1AXS | 0.74 | ![]() |
BJH![]() | 1(R)-1-ACETAMIDO-2-(3-CARBOXY-2- HYDROXYPHENYL)ETHYL BORONIC ACID | A | 1ERQ | 0.7 | ![]() |
EJ5![]() | 4-[3-(2-amino-4-hydroxy-6-oxo-1,6- dihydropyrimidin-5-yl)propyl]benzoic acid | X | 3EJ5 | 0.71 | ![]() |
EQU![]() | EQUILENIN | A,B | 1OGX | 0.7 | ![]() |
EQU![]() | EQUILENIN | A,B,C,D,E,F | 1QJG | 0.7 | ![]() |
EQU![]() | EQUILENIN | A,B | 1OH0 | 0.7 | ![]() |
EQU![]() | EQUILENIN | A | 1W6Y | 0.7 | ![]() |
EQU![]() | EQUILENIN | A,B | 1CQS | 0.7 | ![]() |
EQU![]() | EQUILENIN | A | 1OGZ | 0.7 | ![]() |
EQU![]() | EQUILENIN | A | 1GS3 | 0.7 | ![]() |
EQU![]() | EQUILENIN | A | 1OHO | 0.7 | ![]() |
852![]() | 2-{4-[2-ACETYLAMINO-2-(1-BIPHENYL- 4-YLMETHYL-2-OXO-AZEPAN-3-YLCARBAMOYL)- ETHYL]-2-CARBOXY-PHENYL}-MALONIC ACID | A | 1O44 | 0.74 | ![]() |
201![]() | 3-AMIDO-5-BIPHENYL-BENZOIC ACID | A | 2B0M | 0.77 | ![]() |
394![]() | R-3-FLUORO-4-[2-HYDROXY-2-(5,5,8,8- TETRAMETHYL-5,6,7,8,-TETRAHYDRO- NAPHTALEN-2-YL)-ACETYLAMINO]-BENZOIC ACID | A | 1EXA | 0.73 | ![]() |
MCG![]() | (S)-(ALPHA)-METHYL-4-CARBOXYPHENYLGLYCINE | A,B | 1ISS | 0.76 | ![]() |
254![]() | 6-[HYDROXYIMINO-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTALEN-2- YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID | A | 1FD0 | 0.76 | ![]() |
853![]() | 5-[2-ACETYLAMINO-2-(1-BIPHENYL- 4-YLMETHYL-2-OXO-AZEPAN-3-YLCARBAMOYL)- ETHYL]-2-CARBOXYMETHYL-BENZOIC ACID | A | 1O48 | 0.75 | ![]() |
FBC![]() | A,B | 2B9A | 0.7 | ![]() | |
E04![]() | 3-CARBOXAMIDO-1,3,5(10)-ESTRATRIEN- 17(R)-SPIRO-2'(5',5'-DIMETHYL-6'OXO)TETRAHYDROPYRAN | A | 1ZQ5 | 0.78 | ![]() |
BJP![]() | (1R)-2-PHENYLACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACID | A | 1ERO | 0.8 | ![]() |
197![]() | 4-[2-ACETYLAMINO-2-(1-BIPHENYL- 4-YLMETHYL-2-OXO-AZEPAN-3-YLCARBAMOYL)- ETHYL]-2-FORMYL-BENZOIC ACID | A | 1O4A | 0.75 | ![]() |
WH6![]() | 2-[(1R)-2-carboxy-1-(naphthalen- 1-ylmethyl)ethyl]-1,3-dioxo-2,3- dihydro-1H-isoindole-5-carboxylic acid | A,B | 2R9X | 0.73 | ![]() |
AOE![]() | N-BUTYL-11-[(7R,8R,9S,13S,14S,17S)- 3,17-DIHYDROXY-13-METHYL-7,8,9,11,12,13,14,15,16,17- DECAHYDRO-6H-CYCLOPENTA[A]PHENANTHREN- 7-YL]-N-METHYLUNDECANAMIDE | A | 1HJ1 | 0.74 | ![]() |
26C![]() | A,B | 2F7I | 0.7 | ![]() | |
4MA![]() | 4-METHYLBENZOIC ACID | A,H | 2HRG | 0.7 | ![]() |
TTB![]() | 4-[(1E)-2-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRONAPHTHALEN-2- YL)PROP-1-ENYL]BENZOIC ACID | A | 1XAP | 0.81 | ![]() |
BJI![]() | 1(R)-1-ACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACID | A | 1ERM | 0.78 | ![]() |
TRZ![]() | TRAZEOLIDE | A | 1C12 | 0.73 | ![]() |
MUF![]() | (8alpha,10alpha,13alpha,17beta)- 17-[(4-hydroxyphenyl)carbonyl]androsta- 3,5-diene-3-carboxylic acid | A,B | 3BEJ | 0.72 | ![]() |
GR1![]() | 6-CARBAMIMIDOYL-2-[5-(3-DIETHYLCARBAMOYL- PHENYL)-2-HYDROXY-INDAN-1-YL]-HEXANOIC ACID | B,I | 1QJ7 | 0.73 | ![]() |
156![]() | 4-[3-OXO-3-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTHALEN-2- YL)-PROPENYL]-BENZOIC ACID | A | 1FCZ | 0.8 | ![]() |
AJH![]() | 4-({4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]- 1,4-diazepan-1-yl}carbonyl)benzoic acid | A,B | 3EIO | 0.71 | ![]() |
NDD![]() | 2,6-DICARBOXYNAPHTHALENE | A | 1U4O | 0.74 | ![]() |
NDD![]() | 2,6-DICARBOXYNAPHTHALENE | A,B,C,D | 1HAC | 0.74 | ![]() |
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 | 0.71 | ![]() |
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 | 0.71 | ![]() |
MN7![]() | 1-CARBOXY-4-ISOBUTYLAMINOMETHYLBENZENE | N | 1NLO | 0.76 | ![]() |