Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02310129
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 |
R13![]() | 3-METHYL-7-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTHALEN-2- YL) -OCTA-2,4,6-TRIENOIC ACID | A | 2CBS | 0.77 | ![]() |
FL2![]() | FLURBIPROFEN METHYL ESTER | A,B | 1HT5 | 0.72 | ![]() |
CVB![]() | 4-(CARBOXYVIN-2-YL)PHENYLBORONIC ACID | A,B | 1KE0 | 0.77 | ![]() |
NDD![]() | 2,6-DICARBOXYNAPHTHALENE | A | 1U4O | 0.71 | ![]() |
NDD![]() | 2,6-DICARBOXYNAPHTHALENE | A,B,C,D | 1HAC | 0.71 | ![]() |
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 | ![]() |
NIU![]() | 6,7,8,9-TETRAHYDRO-4-HYDROXY-3- (1-PHENYLPROPYL)CYCLOHEPTA[B]PYRAN- 2-ONE | A | 6UPJ | 0.76 | ![]() |
156![]() | 4-[3-OXO-3-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTHALEN-2- YL)-PROPENYL]-BENZOIC ACID | A | 1FCZ | 0.7 | ![]() |
DPH![]() | DEAMINO-METHYL-PHENYLALANINE | A | 1OS0 | 0.73 | ![]() |
DPH![]() | DEAMINO-METHYL-PHENYLALANINE | A,B | 2JJI | 0.73 | ![]() |
DPH![]() | DEAMINO-METHYL-PHENYLALANINE | A,B | 2JJJ | 0.73 | ![]() |
DPH![]() | DEAMINO-METHYL-PHENYLALANINE | A,B | 2VS2 | 0.73 | ![]() |
DPH![]() | DEAMINO-METHYL-PHENYLALANINE | A,B | 1OD1 | 0.73 | ![]() |
DPH![]() | DEAMINO-METHYL-PHENYLALANINE | E | 1EPR | 0.73 | ![]() |
PAC![]() | 2-PHENYLACETIC ACID | B | 1PNL | 0.71 | ![]() |
PAC![]() | 2-PHENYLACETIC ACID | B | 1K5Q | 0.71 | ![]() |
PAC![]() | 2-PHENYLACETIC ACID | B | 1FXH | 0.71 | ![]() |
PAC![]() | 2-PHENYLACETIC ACID | A | 2ISF | 0.71 | ![]() |
PAC![]() | 2-PHENYLACETIC ACID | A | 2INE | 0.71 | ![]() |
BZM![]() | BENZOIC ACID PHENYLMETHYLESTER | A,B | 1DZM | 0.72 | ![]() |
5PV![]() | 5-PHENYLVALERIC ACID | A,B | 2AY9 | 0.73 | ![]() |
4MA![]() | 4-METHYLBENZOIC ACID | A,H | 2HRG | 0.71 | ![]() |
PPT![]() | 3-(P-TOLYL)PROPIONIC ACID | A,B | 2AY4 | 0.73 | ![]() |
GW5![]() | (2E)-3-{4-[(1E)-1,2-DIPHENYLBUT- 1-ENYL]PHENYL}ACRYLIC ACID | A,B,C | 1R5K | 0.81 | ![]() |
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 | 0.71 | ![]() |
TCA![]() | PHENYLETHYLENECARBOXYLIC ACID | A | 1BE6 | 0.76 | ![]() |
TCA![]() | PHENYLETHYLENECARBOXYLIC ACID | A | 1BE8 | 0.76 | ![]() |
TCA![]() | PHENYLETHYLENECARBOXYLIC ACID | A,B,C,D,E,F, G,H | 2O78 | 0.76 | ![]() |
GRO![]() | R-2-PHENYL-PROPRIONIC ACID | B | 1K5S | 0.72 | ![]() |
GRO![]() | R-2-PHENYL-PROPRIONIC ACID | B | 1KEC | 0.72 | ![]() |
GRO![]() | R-2-PHENYL-PROPRIONIC ACID | B | 1K7D | 0.72 | ![]() |
OST![]() | METHYL (2Z)-3-METHOXY-2-{2-[(E)- 2-PHENYLVINYL]PHENYL}ACRYLATE | C,D,E | 1SQQ | 0.74 | ![]() |
IBP![]() | IBUPROFEN | A | 3FKX | 0.72 | ![]() |
IBP![]() | IBUPROFEN | A,B | 2BXG | 0.72 | ![]() |
IBP![]() | IBUPROFEN | A,B | 1EQG | 0.72 | ![]() |
IBP![]() | IBUPROFEN | A,B,C | 2WD9 | 0.72 | ![]() |
IBP![]() | IBUPROFEN | A | 2PWS | 0.72 | ![]() |
4CB![]() | 4-CARBOXYPHENYLBORONIC ACID | A,B | 1KDW | 0.71 | ![]() |
HCI![]() | HYDROCINNAMIC ACID | A,B | 1BXG | 0.72 | ![]() |
HCI![]() | HYDROCINNAMIC ACID | A,B | 1TOG | 0.72 | ![]() |
HCI![]() | HYDROCINNAMIC ACID | A,B | 1V2F | 0.72 | ![]() |
HCI![]() | HYDROCINNAMIC ACID | A,B | 1AHX | 0.72 | ![]() |
HCI![]() | HYDROCINNAMIC ACID | A | 1TOI | 0.72 | ![]() |
HCI![]() | HYDROCINNAMIC ACID | A,B | 1AY8 | 0.72 | ![]() |
HCI![]() | HYDROCINNAMIC ACID | A | 1TOJ | 0.72 | ![]() |
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 | 0.72 | ![]() |
BZS![]() | L-BENZYLSUCCINIC ACID | A | 1CBX | 0.75 | ![]() |
BZS![]() | L-BENZYLSUCCINIC ACID | A | 1HYT | 0.75 | ![]() |
BZS![]() | L-BENZYLSUCCINIC ACID | A,B | 1WHT | 0.75 | ![]() |
AN1![]() | 3-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACID | H,Y | 1LO3 | 0.7 | ![]() |
DFA![]() | DIPHENYLACETIC ACID | A,B,C | 1GMY | 0.74 | ![]() |
ELI![]() | 6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN- 2-YL)HEXANOIC ACID | A,B | 2GH5 | 0.73 | ![]() |
4FC![]() | A | 1YSG | 0.72 | ![]() | |
OPH![]() | 2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTER | E,I | 1PPM | 0.7 | ![]() |
OPH![]() | 2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTER | E,I | 1PPL | 0.7 | ![]() |
FBC![]() | A,B | 2B9A | 0.72 | ![]() | |
HZ3![]() | dimethyl (1R,4S)-5,6-bis(4-hydroxyphenyl)- 7-oxabicyclo[2.2.1]hepta-2,5-diene- 2,3-dicarboxylate | A,B | 2QR9 | 0.7 | ![]() |
HE7![]() | 4-{[(14beta,17alpha)-3-hydroxyestra- 1,3,5(10)-trien-17-yl]oxy}-4-oxobutanoic acid | A,B,C,D | 2Z77 | 0.71 | ![]() |
RS7![]() | (2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACID | A,B | 2P0M | 0.76 | ![]() |
RS7![]() | (2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACID | A | 1LOX | 0.76 | ![]() |
OX1![]() | H,Y | 1LO2 | 0.72 | ![]() | |
PHT![]() | PHTHALIC ACID | A,B,C | 2B7P | 0.74 | ![]() |
PHT![]() | PHTHALIC ACID | A | 3C2V | 0.74 | ![]() |
PHT![]() | PHTHALIC ACID | A,B,C,D,E,F | 1QPR | 0.74 | ![]() |
PHT![]() | PHTHALIC ACID | A,B | 3C2R | 0.74 | ![]() |
UIN![]() | 5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY- 3-(1-PHENYLPROPYL)CYCLOOCTA[B]PYRAN- 2-ONE | B | 5UPJ | 0.76 | ![]() |
ARL![]() | 7-(3,5-DITERT-BUTYLPHENYL)-3-METHYLOCTA- 2,4,6-TRIENOIC ACID | A | 1NQ7 | 0.78 | ![]() |
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 | 0.72 | ![]() |
OSB![]() | 2-SUCCINYLBENZOATE | A | 1FHV | 0.73 | ![]() |
OSB![]() | 2-SUCCINYLBENZOATE | A,B,C,D | 1SJB | 0.73 | ![]() |
OSB![]() | 2-SUCCINYLBENZOATE | A,B | 2QVH | 0.73 | ![]() |
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 | ![]() | |
26C![]() | A,B | 2F7I | 0.72 | ![]() |