Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03204819
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 |
PMA![]() | PYROMELLITIC ACID | A,B | 1FUP | 0.7 | ![]() |
FLP![]() | FLURBIPROFEN | A,B,C,D | 3PGH | 0.72 | ![]() |
FLP![]() | FLURBIPROFEN | A,B | 1CQE | 0.72 | ![]() |
FLP![]() | FLURBIPROFEN | A,B | 1EQH | 0.72 | ![]() |
FLP![]() | FLURBIPROFEN | A,B | 2AYL | 0.72 | ![]() |
FLP![]() | FLURBIPROFEN | A | 1DVT | 0.72 | ![]() |
FLP![]() | FLURBIPROFEN | A | 1R9O | 0.72 | ![]() |
PBP![]() | 1-(4-BROMO-PHENYL)-ETHANONE | A,B | 2OK9 | 0.74 | ![]() |
PBP![]() | 1-(4-BROMO-PHENYL)-ETHANONE | A,B | 1Z76 | 0.74 | ![]() |
PBP![]() | 1-(4-BROMO-PHENYL)-ETHANONE | A | 1BK9 | 0.74 | ![]() |
564![]() | 6-(5,5,8,8-TETRAMETHYL-5,6,7,8- TETRAHYDRO-NAPHTALENE-2-CARBONYL)- NAPHTALENE-2-CARBOXYLIC ACID | A | 1FCY | 0.7 | ![]() |
KPV![]() | 5-PHENYL-2-KETO-VALERIC ACID | A,B | 2Q5Q | 0.75 | ![]() |
HPZ![]() | (2E,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA- 2,4-DIENOIC ACID | A | 2PUJ | 0.71 | ![]() |
NLA![]() | NAPHTHALEN-1-YL-ACETIC ACID | A,B,C,D | 1LRH | 0.71 | ![]() |
NLA![]() | NAPHTHALEN-1-YL-ACETIC ACID | B | 2P1O | 0.71 | ![]() |
HPX![]() | (2Z,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA- 2,4-DIENOIC ACID | A,B,C,D | 2DSA | 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 | ![]() |
4MA![]() | 4-METHYLBENZOIC ACID | A,H | 2HRG | 0.71 | ![]() |
GRO![]() | R-2-PHENYL-PROPRIONIC ACID | B | 1K5S | 0.7 | ![]() |
GRO![]() | R-2-PHENYL-PROPRIONIC ACID | B | 1KEC | 0.7 | ![]() |
GRO![]() | R-2-PHENYL-PROPRIONIC ACID | B | 1K7D | 0.7 | ![]() |
PPY![]() | 3-PHENYLPYRUVIC ACID | A,B | 2Q5O | 0.75 | ![]() |
PPY![]() | 3-PHENYLPYRUVIC ACID | A,B | 1LCO | 0.75 | ![]() |
PPY![]() | 3-PHENYLPYRUVIC ACID | A,B,C,D,E,F | 2ZF4 | 0.75 | ![]() |
PPY![]() | 3-PHENYLPYRUVIC ACID | A,B | 1BW9 | 0.75 | ![]() |
156![]() | 4-[3-OXO-3-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTHALEN-2- YL)-PROPENYL]-BENZOIC ACID | A | 1FCZ | 0.73 | ![]() |
173![]() | BENZOYL-FORMIC ACID | A,B | 1SZE | 0.77 | ![]() |
ELI![]() | 6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN- 2-YL)HEXANOIC ACID | A,B | 2GH5 | 0.79 | ![]() |
825![]() | [{2-bromo-4-[(2R)-3-oxo-2,3-diphenylpropyl]phenyl}(difluoro)methyl]phosphonic acid | A | 3CWE | 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 | 0.72 | ![]() |
AN1![]() | 3-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACID | H,Y | 1LO3 | 0.7 | ![]() |
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 | ![]() |
PPT![]() | 3-(P-TOLYL)PROPIONIC ACID | A,B | 2AY4 | 0.71 | ![]() |
BZS![]() | L-BENZYLSUCCINIC ACID | A | 1CBX | 0.73 | ![]() |
BZS![]() | L-BENZYLSUCCINIC ACID | A | 1HYT | 0.73 | ![]() |
BZS![]() | L-BENZYLSUCCINIC ACID | A,B | 1WHT | 0.73 | ![]() |
5PV![]() | 5-PHENYLVALERIC ACID | A,B | 2AY9 | 0.71 | ![]() |
DFA![]() | DIPHENYLACETIC ACID | A,B,C | 1GMY | 0.73 | ![]() |
791![]() | 2-PHENYLMALONIC ACID | A | 1O4P | 0.71 | ![]() |
CIN![]() | 4-CARBOXYCINNAMIC ACID | A,B,C,D | 1HAB | 0.73 | ![]() |
CIN![]() | 4-CARBOXYCINNAMIC ACID | A,B | 1T6J | 0.73 | ![]() |
HPK![]() | (3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATE | A | 2PUH | 0.73 | ![]() |
26C![]() | A,B | 2F7I | 0.74 | ![]() | |
789![]() | 3-BROMO-6-HYDROXY-2-(4-HYDROXYPHENYL)- 1H-INDEN-1-ONE | A,B | 1ZAF | 0.72 | ![]() |
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 | ![]() |
FBC![]() | A,B | 2B9A | 0.74 | ![]() | |
NDD![]() | 2,6-DICARBOXYNAPHTHALENE | A | 1U4O | 0.74 | ![]() |
NDD![]() | 2,6-DICARBOXYNAPHTHALENE | A,B,C,D | 1HAC | 0.74 | ![]() |
CLT![]() | 4-PHENYL-BUTANOIC ACID | A | 1THL | 0.71 | ![]() |
CLT![]() | 4-PHENYL-BUTANOIC ACID | A,B | 2AY7 | 0.71 | ![]() |
CLT![]() | 4-PHENYL-BUTANOIC ACID | E,I | 1TMN | 0.71 | ![]() |
BFL![]() | A,B | 1Q4G | 0.74 | ![]() | |
PBF![]() | PARA-(BENZOYL)-PHENYLALANINE | A | 2FR9 | 0.72 | ![]() |
PBF![]() | PARA-(BENZOYL)-PHENYLALANINE | A,B | 1EEN | 0.72 | ![]() |
PBF![]() | PARA-(BENZOYL)-PHENYLALANINE | A | 2HGZ | 0.72 | ![]() |
PBF![]() | PARA-(BENZOYL)-PHENYLALANINE | A | 2FRB | 0.72 | ![]() |
TRZ![]() | TRAZEOLIDE | A | 1C12 | 0.75 | ![]() |
4FC![]() | A | 1YSG | 0.75 | ![]() | |
HSI![]() | (3R)-3-{4-[(4-CHLOROPHENYL)ETHYNYL]BENZOYL}NONANOIC ACID | A | 2Z2D | 0.75 | ![]() |