Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03093201
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 |
EQI![]() | EQUILIN | A,B | 1EQU | 0.73 | ![]() |
TTB![]() | 4-[(1E)-2-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRONAPHTHALEN-2- YL)PROP-1-ENYL]BENZOIC ACID | A | 1XAP | 0.75 | ![]() |
GRO![]() | R-2-PHENYL-PROPRIONIC ACID | B | 1K5S | 0.73 | ![]() |
GRO![]() | R-2-PHENYL-PROPRIONIC ACID | B | 1KEC | 0.73 | ![]() |
GRO![]() | R-2-PHENYL-PROPRIONIC ACID | B | 1K7D | 0.73 | ![]() |
SDT![]() | 3,4-dihydroxy-9,10-secoandrosta- 1(10),2,4-triene-9,17-dione | A,B | 2ZI8 | 0.73 | ![]() |
BFL![]() | A,B | 1Q4G | 0.71 | ![]() | |
HTQ![]() | HOMOTROPINE | A,B,C | 2DQZ | 0.71 | ![]() |
HTQ![]() | HOMOTROPINE | A,B,C,D,E,F | 1MX5 | 0.71 | ![]() |
564![]() | 6-(5,5,8,8-TETRAMETHYL-5,6,7,8- TETRAHYDRO-NAPHTALENE-2-CARBONYL)- NAPHTALENE-2-CARBOXYLIC ACID | A | 1FCY | 0.72 | ![]() |
PPY![]() | 3-PHENYLPYRUVIC ACID | A,B | 2Q5O | 0.72 | ![]() |
PPY![]() | 3-PHENYLPYRUVIC ACID | A,B | 1LCO | 0.72 | ![]() |
PPY![]() | 3-PHENYLPYRUVIC ACID | A,B,C,D,E,F | 2ZF4 | 0.72 | ![]() |
PPY![]() | 3-PHENYLPYRUVIC ACID | A,B | 1BW9 | 0.72 | ![]() |
IBP![]() | IBUPROFEN | A | 3FKX | 0.74 | ![]() |
IBP![]() | IBUPROFEN | A,B | 2BXG | 0.74 | ![]() |
IBP![]() | IBUPROFEN | A,B | 1EQG | 0.74 | ![]() |
IBP![]() | IBUPROFEN | A,B,C | 2WD9 | 0.74 | ![]() |
IBP![]() | IBUPROFEN | A | 2PWS | 0.74 | ![]() |
APG![]() | ATROLACTIC ACID (2-PHENYL-LACTIC ACID) | A | 1MRA | 0.84 | ![]() |
APG![]() | ATROLACTIC ACID (2-PHENYL-LACTIC ACID) | A | 1MNS | 0.84 | ![]() |
APG![]() | ATROLACTIC ACID (2-PHENYL-LACTIC ACID) | A | 1DTN | 0.84 | ![]() |
APG![]() | ATROLACTIC ACID (2-PHENYL-LACTIC ACID) | A | 1MDR | 0.84 | ![]() |
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 | 0.72 | ![]() |
PHT![]() | PHTHALIC ACID | A,B,C | 2B7P | 0.71 | ![]() |
PHT![]() | PHTHALIC ACID | A | 3C2V | 0.71 | ![]() |
PHT![]() | PHTHALIC ACID | A,B,C,D,E,F | 1QPR | 0.71 | ![]() |
PHT![]() | PHTHALIC ACID | A,B | 3C2R | 0.71 | ![]() |
HPP![]() | HYDROXYPHENYL PROPIONIC ACID | A,B | 2TPL | 0.7 | ![]() |
HPP![]() | HYDROXYPHENYL PROPIONIC ACID | A,B,C,D | 3GGP | 0.7 | ![]() |
HFA![]() | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | 0,1,3,4,5,9, A,B,C,H,J,K, L,M,N,O,Q,R, S,T,U,Y,Z | 1VQ6 | 0.74 | ![]() |
HFA![]() | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | A,B | 1C1X | 0.74 | ![]() |
HFA![]() | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | 0,1,3,4,9,A, B,C,D,F,H,J, K,L,M,N,O,Q, R,S,T,U,Y,Z | 1VQP | 0.74 | ![]() |
HFA![]() | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | 0,1,2,3,4,5, 9,A,B,C,D,F, H,J,K,L,M,N, O,Q,R,S,T,U, Y,Z | 1VQN | 0.74 | ![]() |
HFA![]() | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | I | 1QRP | 0.74 | ![]() |
HFA![]() | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | A | 2CTC | 0.74 | ![]() |
HFA![]() | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | I | 1E82 | 0.74 | ![]() |
HFA![]() | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | I | 1E81 | 0.74 | ![]() |
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 | ![]() |
UIN![]() | 5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY- 3-(1-PHENYLPROPYL)CYCLOOCTA[B]PYRAN- 2-ONE | B | 5UPJ | 0.7 | ![]() |
KPV![]() | 5-PHENYL-2-KETO-VALERIC ACID | A,B | 2Q5Q | 0.72 | ![]() |
RMN![]() | (R)-MANDELIC ACID | A | 1MDL | 0.79 | ![]() |
RMN![]() | (R)-MANDELIC ACID | A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P | 1MCZ | 0.79 | ![]() |
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 | ![]() |
DFA![]() | DIPHENYLACETIC ACID | A,B,C | 1GMY | 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 | 1MVC | 0.7 | ![]() |
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 | 0.7 | ![]() |
CIN![]() | 4-CARBOXYCINNAMIC ACID | A,B,C,D | 1HAB | 0.71 | ![]() |
CIN![]() | 4-CARBOXYCINNAMIC ACID | A,B | 1T6J | 0.71 | ![]() |
156![]() | 4-[3-OXO-3-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTHALEN-2- YL)-PROPENYL]-BENZOIC ACID | A | 1FCZ | 0.75 | ![]() |
4MA![]() | 4-METHYLBENZOIC ACID | A,H | 2HRG | 0.73 | ![]() |
HHH![]() | (2S)-hydroxy(4-hydroxyphenyl)ethanoic acid | A,B | 2R5V | 0.72 | ![]() |
SMN![]() | (S)-MANDELIC ACID | A | 1MDL | 0.79 | ![]() |
ENO![]() | 3-(4-HYDROXY-PHENYL)PYRUVIC ACID | H,I | 1A2C | 0.71 | ![]() |
ENO![]() | 3-(4-HYDROXY-PHENYL)PYRUVIC ACID | A,B,C | 1CA7 | 0.71 | ![]() |
ENO![]() | 3-(4-HYDROXY-PHENYL)PYRUVIC ACID | A,B,C,D | 3GGO | 0.71 | ![]() |
FBC![]() | A,B | 2B9A | 0.7 | ![]() | |
4HP![]() | 4-HYDROXYPHENYLACETATE | A,B,C,D | 2JBT | 0.71 | ![]() |
4HP![]() | 4-HYDROXYPHENYLACETATE | A | 2YYJ | 0.71 | ![]() |
4HP![]() | 4-HYDROXYPHENYLACETATE | A | 2YYM | 0.71 | ![]() |
4HP![]() | 4-HYDROXYPHENYLACETATE | B | 1AI6 | 0.71 | ![]() |
4HP![]() | 4-HYDROXYPHENYLACETATE | M,N,O,P,Q,R | 3PCG | 0.71 | ![]() |
OPH![]() | 2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTER | E,I | 1PPM | 0.77 | ![]() |
OPH![]() | 2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTER | E,I | 1PPL | 0.77 | ![]() |
FBR![]() | (9aS)-4-bromo-9a-butyl-7-hydroxy- 1,2,9,9a-tetrahydro-3H-fluoren- 3-one | A | 2GIU | 0.71 | ![]() |
HE7![]() | 4-{[(14beta,17alpha)-3-hydroxyestra- 1,3,5(10)-trien-17-yl]oxy}-4-oxobutanoic acid | A,B,C,D | 2Z77 | 0.71 | ![]() |
OX1![]() | H,Y | 1LO2 | 0.72 | ![]() | |
TRZ![]() | TRAZEOLIDE | A | 1C12 | 0.74 | ![]() |
26C![]() | A,B | 2F7I | 0.7 | ![]() | |
295![]() | (2S,3S)-3-(4-fluorophenyl)-2,3- dihydroxypropanoic acid | A,B | 2RJR | 0.74 | ![]() |
R12![]() | 9-(4-HYDROXY-2,6-DIMETHYL-PHENYL)- 3,7-DIMETHYL-NONA-4,6,8-TRIENOIC ACID | A | 3CBS | 0.71 | ![]() |
NIU![]() | 6,7,8,9-TETRAHYDRO-4-HYDROXY-3- (1-PHENYLPROPYL)CYCLOHEPTA[B]PYRAN- 2-ONE | A | 6UPJ | 0.73 | ![]() |
OSB![]() | 2-SUCCINYLBENZOATE | A | 1FHV | 0.74 | ![]() |
OSB![]() | 2-SUCCINYLBENZOATE | A,B,C,D | 1SJB | 0.74 | ![]() |
OSB![]() | 2-SUCCINYLBENZOATE | A,B | 2QVH | 0.74 | ![]() |