Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02375343
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 |
HE7 | 4-{[(14beta,17alpha)-3-hydroxyestra- 1,3,5(10)-trien-17-yl]oxy}-4-oxobutanoic acid | A,B,C,D | 2Z77 | 0.72 |  |
ADL | (1,8-DIHYDROXY-9-OXO-9,10-DIHYDRO- ANTHRACEN-2-YL)-ACETIC ACID | A,B | 1N5S | 0.73 | |
4TN | (2E)-3-[3-(3-ETHOXY-5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRONAPHTHALEN-2- YL)-4-HYDROXYPHENYL]ACRYLIC ACID | A | 2P1U | 0.73 | |
3TN | (2E)-3-[4-HYDROXY-3-(3-METHOXY- 5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN- 2-YL)PHENYL]ACRYLIC ACID | A | 2P1T | 0.75 | |
OAL | (1,8-DIHYDROXY-9,10-DIOXO-9,10- DIHYDRO-ANTHRACEN-2-YL)-ACETIC ACID | B | 1N5T | 0.75 | |
BHF | 2-PHENYL-4H-BENZO[H]CHROMEN-4-ONE | A | 2HI4 | 0.7 | |
AKV | {3-[(1R,3S)-1,3-DIHYDROXYPENTYL]- 4,5,9,10-TETRAHYDROXY-2-ANTHRYL}ACETATE | A,B,C,D | 2F99 | 0.72 | |
DIC | 3,4-DICHLOROISOCOUMARIN | A | 1DIC | 0.74 | |
PMA | PYROMELLITIC ACID | A,B | 1FUP | 0.77 | |
NDD | 2,6-DICARBOXYNAPHTHALENE | A | 1U4O | 0.79 | |
| NDD | 2,6-DICARBOXYNAPHTHALENE | A,B,C,D | 1HAC | 0.79 | |
TRZ | TRAZEOLIDE | A | 1C12 | 0.76 | |
PHT | PHTHALIC ACID | A,B,C | 2B7P | 0.76 | |
| PHT | PHTHALIC ACID | A | 3C2V | 0.76 | |
| PHT | PHTHALIC ACID | A,B,C,D,E,F | 1QPR | 0.76 | |
| PHT | PHTHALIC ACID | A,B | 3C2R | 0.76 | |
NLA | NAPHTHALEN-1-YL-ACETIC ACID | A,B,C,D | 1LRH | 0.71 | |
| NLA | NAPHTHALEN-1-YL-ACETIC ACID | B | 2P1O | 0.71 | |
1NH | (2E,6E)-8-[(3-BENZOYLBENZYL)OXY]- 3,7-DIMETHYLOCTA-2,6-DIENYL TRIHYDROGEN DIPHOSPHATE | B | 1O1S | 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 | 0.74 | |
| NGV | METHYL 5,7-DIHYDROXY-2-METHYL-4,6,11- TRIOXO-3,4,6,11-TETRAHYDROTETRACENE- 1-CARBOXYLATE | A | 1SJW | 0.74 | |
TTB | 4-[(1E)-2-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRONAPHTHALEN-2- YL)PROP-1-ENYL]BENZOIC ACID | A | 1XAP | 0.86 | |
MUF | (8alpha,10alpha,13alpha,17beta)- 17-[(4-hydroxyphenyl)carbonyl]androsta- 3,5-diene-3-carboxylic acid | A,B | 3BEJ | 0.71 | |
TMM | 1,3,5-BENZENETRICARBOXYLIC ACID | A,B,C,D | 1SDL | 0.72 | |
| TMM | 1,3,5-BENZENETRICARBOXYLIC ACID | A,B,C,D | 1SDK | 0.72 | |
FL2 | FLURBIPROFEN METHYL ESTER | A,B | 1HT5 | 0.73 | |
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 | 0.73 | |
156 | 4-[3-OXO-3-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTHALEN-2- YL)-PROPENYL]-BENZOIC ACID | A | 1FCZ | 0.85 | |
5TN | (2E)-3-[4-HYDROXY-3-(5,5,8,8-TETRAMETHYL- 3-PROPOXY-5,6,7,8-TETRAHYDRONAPHTHALEN- 2-YL)PHENYL]ACRYLIC ACID | A | 2P1V | 0.72 | |
BZM | BENZOIC ACID PHENYLMETHYLESTER | A,B | 1DZM | 0.78 | |
CIN | 4-CARBOXYCINNAMIC ACID | A,B,C,D | 1HAB | 0.74 | |
| CIN | 4-CARBOXYCINNAMIC ACID | A,B | 1T6J | 0.74 | |
BNA | BIS-(NAPHTHYL-1-METHYL) ACETIC ACID | I | 4ER1 | 0.71 | |
| BNA | BIS-(NAPHTHYL-1-METHYL) ACETIC ACID | A | 1FQ5 | 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 | 0.81 | |
BFL | A,B | 1Q4G | 0.7 | | |
OST | METHYL (2Z)-3-METHOXY-2-{2-[(E)- 2-PHENYLVINYL]PHENYL}ACRYLATE | C,D,E | 1SQQ | 0.76 | |
PIC | 6-(DIFLUORO-PHOSPHONO-METHYL)-NAPHTHALENE- 2-CARBOXYLIC ACID | A | 1BZJ | 0.73 | |
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 | |
E04 | 3-CARBOXAMIDO-1,3,5(10)-ESTRATRIEN- 17(R)-SPIRO-2'(5',5'-DIMETHYL-6'OXO)TETRAHYDROPYRAN | A | 1ZQ5 | 0.7 | |
ELI | 6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN- 2-YL)HEXANOIC ACID | A,B | 2GH5 | 0.74 | |
4MA | 4-METHYLBENZOIC ACID | A,H | 2HRG | 0.74 | |
OX1 | H,Y | 1LO2 | 0.75 | | |
26C | A,B | 2F7I | 0.74 | | |
564 | 6-(5,5,8,8-TETRAMETHYL-5,6,7,8- TETRAHYDRO-NAPHTALENE-2-CARBONYL)- NAPHTALENE-2-CARBOXYLIC ACID | A | 1FCY | 0.81 | |
OSB | 2-SUCCINYLBENZOATE | A | 1FHV | 0.77 | |
| OSB | 2-SUCCINYLBENZOATE | A,B,C,D | 1SJB | 0.77 | |
| OSB | 2-SUCCINYLBENZOATE | A,B | 2QVH | 0.77 | |
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 | 0.75 | |
AN1 | 3-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACID | H,Y | 1LO3 | 0.73 | |
NPS | (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid | A | 2VDB | 0.72 | |
BHC | BENZENE HEXACARBOXYLIC ACID | A,B,C,D | 1BQ4 | 0.71 | |
FBC | A,B | 2B9A | 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 | 0.87 | |
| 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 | 0.87 | |
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 | 0.72 | |
4CB | 4-CARBOXYPHENYLBORONIC ACID | A,B | 1KDW | 0.7 | |
4FC | A | 1YSG | 0.75 | |