Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00721710
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 |
S2D![]() | N-BENZOYL-D-ALANINE | A,B | 2JCI | 0.71 | ![]() |
T10![]() | [1-(1-BENZYL-3-HYDROXY-2-OXO-PROPYLCARBAMOYL)- 2-PHENYL-ETHYL]-CARBAMIC ACID BENZYL ESTER | A | 1ME4 | 0.71 | ![]() |
ZFB![]() | (3R)-3-{[(BENZYLOXY)CARBONYL]AMINO}- 2-OXO-4-PHENYLBUTANE-1-DIAZONIUM | A,B,C,D | 1PVJ | 0.72 | ![]() |
712![]() | 3-({[(1R)-1-(4-FLUOROPHENYL)ETHYL]AMINO}CARBONYL)- 5-[METHYL(METHYLSULFONYL)AMINO]BENZYL ALPHA- METHYL-D-PHENYLALANINATE | A | 2PH6 | 0.75 | ![]() |
878![]() | 5-IODO-2-(OXALYL-AMINO)-BENZOIC ACID | A | 1ECV | 0.71 | ![]() |
L01![]() | 3-[({(1S,2R)-1-BENZYL-2-HYDROXY- 3-[(3-METHOXYBENZYL)AMINO]PROPYL}AMINO)(HYDROXY)METHYL]- N,N-DIPROPYLBENZAMIDE | A | 1W51 | 0.7 | ![]() |
B1L![]() | 3-[(4-HYDROXYBENZOYL)AMINO]AZEPAN- 4-YL 4-HYDROXYBENZOATE | A | 1REJ | 0.71 | ![]() |
ICX![]() | methyl N-[(5Z)-6-({[4-(4-iodobenzyl)phenyl]carbonyl}amino)hex- 5-enoyl]glycinate | A,C,D,E,G,P, Q,R,W | 3CWB | 0.76 | ![]() |
852![]() | 2-{4-[2-ACETYLAMINO-2-(1-BIPHENYL- 4-YLMETHYL-2-OXO-AZEPAN-3-YLCARBAMOYL)- ETHYL]-2-CARBOXY-PHENYL}-MALONIC ACID | A | 1O44 | 0.7 | ![]() |
INT![]() | [[PHENYLMETHYLOXY-CARBONYL]-ALANINYL]- VALINYL-[PHENYL-1-HYDROXYPROP-2- YL]-AMINE | A | 3TLH | 0.71 | ![]() |
INT![]() | [[PHENYLMETHYLOXY-CARBONYL]-ALANINYL]- VALINYL-[PHENYL-1-HYDROXYPROP-2- YL]-AMINE | A | 1B11 | 0.71 | ![]() |
INT![]() | [[PHENYLMETHYLOXY-CARBONYL]-ALANINYL]- VALINYL-[PHENYL-1-HYDROXYPROP-2- YL]-AMINE | A | 6FIV | 0.71 | ![]() |
INT![]() | [[PHENYLMETHYLOXY-CARBONYL]-ALANINYL]- VALINYL-[PHENYL-1-HYDROXYPROP-2- YL]-AMINE | A | 5FIV | 0.71 | ![]() |
INT![]() | [[PHENYLMETHYLOXY-CARBONYL]-ALANINYL]- VALINYL-[PHENYL-1-HYDROXYPROP-2- YL]-AMINE | A | 2HAH | 0.71 | ![]() |
RAC![]() | 4-(2-DIMETHYLCARBAMOYL-PHENYLCARBAMOYLOXYMETHYL)- BENZOIC ACID | H | 1MEX | 0.75 | ![]() |
SB3![]() | 1,3-DIPHENYL-1-PROPYL-1-(3,3-DIMETHYL- 1,2-DIOXYPENTYL)-2-PIPERIDINE CARBOXYLATE | A | 1FKG | 0.74 | ![]() |
XIN![]() | methyl (3Z)-3-{[(4-{methyl[(4-methylpiperazin- 1-yl)acetyl]amino}phenyl)amino](phenyl)methylidene}- 2-oxo-2,3-dihydro-1H-indole-6-carboxylate | A | 3C7Q | 0.73 | ![]() |
MN7![]() | 1-CARBOXY-4-ISOBUTYLAMINOMETHYLBENZENE | N | 1NLO | 0.73 | ![]() |
RXB![]() | (1S)-2-oxo-1-phenyl-2-[(1,3,4-trioxo- 1,2,3,4-tetrahydroisoquinolin-5- yl)amino]ethyl acetate | A,B,C,D | 3DEI | 0.75 | ![]() |
201![]() | 3-AMIDO-5-BIPHENYL-BENZOIC ACID | A | 2B0M | 0.74 | ![]() |
ARQ![]() | BENZOYLAMINO-BENZYL-METHYL-[2-HYDROXY- 3-[1-METHYL-ETHYL-OXY-N-FORMAMIDYL]- 4-PHENYL-BUTYL]-AMMONIUM | A | 3AID | 0.7 | ![]() |
186![]() | [1-(1-METHYL-4,5-DIOXO-PENT-2-ENYLCARBAMOYL)- 2-PHENYL-ETHYL]-CARBAMIC ACID BENZYL ESTER | X | 1U9Q | 0.75 | ![]() |
EB4![]() | N,N',N''-[(3S,7S,11S)-2,6,10-trioxo- 1,5,9-trioxacyclododecane-3,7,11- triyl]tris(2,3-dihydroxybenzamide) | A,B,C | 3CMP | 0.72 | ![]() |
BJP![]() | (1R)-2-PHENYLACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACID | A | 1ERO | 0.72 | ![]() |
BZM![]() | BENZOIC ACID PHENYLMETHYLESTER | A,B | 1DZM | 0.72 | ![]() |
HOP![]() | (1S,2S,5S)2-(4-GLUTARIDYLBENZYL)- 5-PHENYL-1-CYCLOHEXANOL | H,L | 1D6V | 0.73 | ![]() |
HOP![]() | (1S,2S,5S)2-(4-GLUTARIDYLBENZYL)- 5-PHENYL-1-CYCLOHEXANOL | A,B,H,L | 1AXS | 0.73 | ![]() |
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 | 0.71 | ![]() |
821![]() | A | 1O43 | 0.74 | ![]() | |
OBA![]() | 2-(OXALYL-AMINO)-BENZOIC ACID | A | 1C85 | 0.72 | ![]() |
TYZ![]() | PARA ACETAMIDO BENZOIC ACID | B,C | 2BNI | 0.72 | ![]() |
TYZ![]() | PARA ACETAMIDO BENZOIC ACID | A | 1W5K | 0.72 | ![]() |
TYZ![]() | PARA ACETAMIDO BENZOIC ACID | A | 1W5J | 0.72 | ![]() |
46C![]() | 4-[(6-chloro-1-oxo-4-phenyl-3-propanoylisoquinolin- 2(1H)-yl)methyl]benzoic acid | A | 2ZDT | 0.7 | ![]() |
IDB![]() | 3-[5-[(3-CARBOXY-2,4,6-TRIIODO- PHENYL)CARBAMOYL]PENTANOYLAMINO]- 2,4,6-TRIIODO-BENZOIC ACID | A | 2BXN | 0.7 | ![]() |
853![]() | 5-[2-ACETYLAMINO-2-(1-BIPHENYL- 4-YLMETHYL-2-OXO-AZEPAN-3-YLCARBAMOYL)- ETHYL]-2-CARBOXYMETHYL-BENZOIC ACID | A | 1O48 | 0.73 | ![]() |
CS7![]() | N'-[(1S,2R)-2-[(2R,4R)-4-(BENZYLOXY)PYRROLIDIN- 2-YL]-1-(3,5-DIFLUOROBENZYL)-2- HYDROXYETHYL]-5-METHYL-N,N-DIPROPYLISOPHTHALAMIDE | A,B | 2QMD | 0.72 | ![]() |
RPR![]() | A | 1F0U | 0.71 | ![]() | |
RPR![]() | A | 1EZQ | 0.71 | ![]() | |
MCG![]() | (S)-(ALPHA)-METHYL-4-CARBOXYPHENYLGLYCINE | A,B | 1ISS | 0.71 | ![]() |
197![]() | 4-[2-ACETYLAMINO-2-(1-BIPHENYL- 4-YLMETHYL-2-OXO-AZEPAN-3-YLCARBAMOYL)- ETHYL]-2-FORMYL-BENZOIC ACID | A | 1O4A | 0.73 | ![]() |
401![]() | (2S)-2-{3-[({[2-fluoro-4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]- 4-methoxybenzyl}butanoic acid | A,B | 2ZNQ | 0.7 | ![]() |
77B![]() | BENZYL N-({(2S,3S)-3-[(BENZYLAMINO)CARBONYL]OXIRAN- 2-YL}CARBONYL)-L-ISOLEUCYL-L-PROLINATE | A | 2DCC | 0.7 | ![]() |
K55![]() | (2S)-2-{4-butoxy-3-[({[2-fluoro- 4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]benzyl}butanoic acid | A,B | 2ZNP | 0.71 | ![]() |
PH7![]() | (2Z)-2-(BENZOYLAMINO)-3-[4-(2-BROMOPHENOXY)PHENYL]- 2-PROPENOIC ACID | A | 1YVF | 0.78 | ![]() |
A80![]() | N-(5,5,8,8-TETRAMETHYL-5,8-DIHYDRO- NAPHTHALEN-2-YL)-TEREPHTHALAMIC ACID | A | 2CBR | 0.74 | ![]() |
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 | 0.71 | ![]() |
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 | 0.71 | ![]() |
794![]() | 2-[(CARBOXYCARBONYL)(1-NAPHTHYL)AMINO]BENZOIC ACID | A | 1NO6 | 0.72 | ![]() |
761![]() | 3-(OXALYL-AMINO)-NAPHTHALENE-2- CARBOXYLIC ACID | A | 1C84 | 0.71 | ![]() |
RXC![]() | (1S)-1-(3-chlorophenyl)-2-oxo-2- [(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin- 5-yl)amino]ethyl acetate | A,B,C,D | 3DEJ | 0.71 | ![]() |
I03![]() | (2S)-2-AMINO-2-BENZYL-3-HYDROXYPROPYL 3- ({[(1R)-1-(4-FLUOROPHENYL)ETHYL]AMINO}CARBONYL)- 5-[METHYL(METHYLSULFONYL)AMINO]BENZOATE | A | 2IS0 | 0.71 | ![]() |
HC7![]() | (2S)-2-[4'-({dimethyl[2-(phosphonooxy)ethyl]ammonio}acetyl)biphenyl- 4-yl]-2-hydroxy-4,4-dimethylmorpholin- 4-ium | A | 3FEG | 0.71 | ![]() |
903![]() | 2-{4-[2-ACETYLAMINO-2-(1-BIPHENYL- 4-YLMETHYL-2-OXO-AZEPAN-3-YLCARBAMOYL)- ETHYL]-2-METHOXYCARBONYL-PHENYL}- 2-FLUORO-MALONIC ACID | A | 1O46 | 0.73 | ![]() |
I21![]() | 2-[(5R)-5-amino-5-methyl-4,16-dioxo- 14-phenyl-3-oxa-15-azatricyclo[15.3.1.1~7,11~]docosa- 1(21),7(22),8,10,12,14,17,19-octaen- 19-yl]benzonitrile | A | 2QZK | 0.75 | ![]() |
KAF![]() | N-{(5S)-4,4-dihydroxy-6-phenyl- 5-[(phenylcarbonyl)amino]hexanoyl}- L-phenylalanine | A | 3BKK | 0.74 | ![]() |
AG6![]() | N-[(benzyloxy)carbonyl]-L-alpha- glutamyl-N-[(1S)-4-oxo-4-phenyl- 1-propylbut-2-en-1-yl]-L-phenylalaninamide | A | 3FRZ | 0.75 | ![]() |
BD2![]() | 3-[(4-HYDROXYBENZOYL)AMINO]AZEPAN- 4-YL 4-(2-HYDROXYBENZOYL)BENZOATE | A | 1RE8 | 0.71 | ![]() |
TNK![]() | 6-BENZYL-1-BENZYLOXYMETHYL-5-ISOPROPYL URACIL | A | 1JLA | 0.72 | ![]() |
TNK![]() | 6-BENZYL-1-BENZYLOXYMETHYL-5-ISOPROPYL URACIL | A | 1RT2 | 0.72 | ![]() |
TNK![]() | 6-BENZYL-1-BENZYLOXYMETHYL-5-ISOPROPYL URACIL | A | 1S1V | 0.72 | ![]() |
WR1![]() | NALPHA-[(BENZYLOXY)CARBONYL]-N- [(1R)-4-HYDROXY-1-METHYL-2-OXOBUTYL]- L-PHENYLALANINAMIDE | A,B | 2OP9 | 0.7 | ![]() |
4BA![]() | 4-[(2-CARBOXY-ETHYLAMINO)-METHYL]- BENZOIC ACID | C | 1FAV | 0.71 | ![]() |