Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02408927
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 |
BCG![]() | 3-(BENZOYLOXY)-8-METHYL-8-AZABICYCLO[3.2.1]OCTANE- 2-CARBOXYLIC ACID | H | 1QYG | 0.94 | ![]() |
73V![]() | BENZYL N-({(2S,3S)-3-[(PROPYLAMINO)CARBONYL]OXIRAN- 2-YL}CARBONYL)-L-ISOLEUCYL-L-PROLINATE | A | 2DC6 | 0.72 | ![]() |
HTQ![]() | HOMOTROPINE | A,B,C | 2DQZ | 0.76 | ![]() |
HTQ![]() | HOMOTROPINE | A,B,C,D,E,F | 1MX5 | 0.76 | ![]() |
C39![]() | N-[(2S,4S,5S,7R)-4-AMINO-8-(BUTYLAMINO)- 5-HYDROXY-7-METHYL-2-(1-METHYLETHYL)- 8-OXOOCTYL]-2-(3-METHOXYPROPOXY)BENZAMIDE | C,O | 2V12 | 0.72 | ![]() |
4BA![]() | 4-[(2-CARBOXY-ETHYLAMINO)-METHYL]- BENZOIC ACID | C | 1FAV | 0.73 | ![]() |
BJP![]() | (1R)-2-PHENYLACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACID | A | 1ERO | 0.73 | ![]() |
ZU5![]() | N-[(benzyloxy)carbonyl]-O-tert- butyl-L-threonyl-N-[(1R)-4-cyclopropyl- 4-oxo-1-{[(3S)-2-oxopyrrolidin- 3-yl]methyl}butyl]-L-leucinamide | A | 2ZU5 | 0.71 | ![]() |
MN7![]() | 1-CARBOXY-4-ISOBUTYLAMINOMETHYLBENZENE | N | 1NLO | 0.72 | ![]() |
ZAH![]() | N-[(BENZYLOXY)CARBONYL]-L-ALANYL- L-PROLINE | A,B | 2BKL | 0.72 | ![]() |
CY9![]() | (3S,3aR,4S,6S,6aR,7E,10S,12R,13E,15R,15aR)- 3-benzyl-6,12-dihydroxy-4,10,12- trimethyl-5-methylidene-1,11-dioxo- 2,3,3a,4,5,6,6a,9,10,11,12,15-dodecahydro- 1H-cycloundeca[d]isoindol-15-yl acetate | A | 3EKU | 0.73 | ![]() |
CY9![]() | (3S,3aR,4S,6S,6aR,7E,10S,12R,13E,15R,15aR)- 3-benzyl-6,12-dihydroxy-4,10,12- trimethyl-5-methylidene-1,11-dioxo- 2,3,3a,4,5,6,6a,9,10,11,12,15-dodecahydro- 1H-cycloundeca[d]isoindol-15-yl acetate | A | 3EKS | 0.73 | ![]() |
0E2![]() | N-acetyl-L-valyl-O-benzyl-L-threonyl- N-[(1R,2R)-2-hydroxy-1-{[(3R)-2- oxopyrrolidin-3-yl]methyl}propyl]- L-leucinamide | A | 2Z3C | 0.72 | ![]() |
BJH![]() | 1(R)-1-ACETAMIDO-2-(3-CARBOXY-2- HYDROXYPHENYL)ETHYL BORONIC ACID | A | 1ERQ | 0.7 | ![]() |
WR1![]() | NALPHA-[(BENZYLOXY)CARBONYL]-N- [(1R)-4-HYDROXY-1-METHYL-2-OXOBUTYL]- L-PHENYLALANINAMIDE | A,B | 2OP9 | 0.71 | ![]() |
F3G![]() | 3-[2-(2-BENZYLOXYCARBONYLAMINO- 3-METHYL-BUTYRYLAMINO)-PROPIONYLAMINO]- 4-OXO-PENTANOIC ACID | A | 2HBY | 0.7 | ![]() |
F3G![]() | 3-[2-(2-BENZYLOXYCARBONYLAMINO- 3-METHYL-BUTYRYLAMINO)-PROPIONYLAMINO]- 4-OXO-PENTANOIC ACID | A | 2H4Y | 0.7 | ![]() |
F3G![]() | 3-[2-(2-BENZYLOXYCARBONYLAMINO- 3-METHYL-BUTYRYLAMINO)-PROPIONYLAMINO]- 4-OXO-PENTANOIC ACID | A | 2HBR | 0.7 | ![]() |
F3G![]() | 3-[2-(2-BENZYLOXYCARBONYLAMINO- 3-METHYL-BUTYRYLAMINO)-PROPIONYLAMINO]- 4-OXO-PENTANOIC ACID | A | 2H4W | 0.7 | ![]() |
F3G![]() | 3-[2-(2-BENZYLOXYCARBONYLAMINO- 3-METHYL-BUTYRYLAMINO)-PROPIONYLAMINO]- 4-OXO-PENTANOIC ACID | A | 2H48 | 0.7 | ![]() |
F3G![]() | 3-[2-(2-BENZYLOXYCARBONYLAMINO- 3-METHYL-BUTYRYLAMINO)-PROPIONYLAMINO]- 4-OXO-PENTANOIC ACID | A | 2H54 | 0.7 | ![]() |
F3G![]() | 3-[2-(2-BENZYLOXYCARBONYLAMINO- 3-METHYL-BUTYRYLAMINO)-PROPIONYLAMINO]- 4-OXO-PENTANOIC ACID | A | 2H51 | 0.7 | ![]() |
F3G![]() | 3-[2-(2-BENZYLOXYCARBONYLAMINO- 3-METHYL-BUTYRYLAMINO)-PROPIONYLAMINO]- 4-OXO-PENTANOIC ACID | A | 2HBZ | 0.7 | ![]() |
F3G![]() | 3-[2-(2-BENZYLOXYCARBONYLAMINO- 3-METHYL-BUTYRYLAMINO)-PROPIONYLAMINO]- 4-OXO-PENTANOIC ACID | A | 2HBQ | 0.7 | ![]() |
LOB![]() | LOBELINE | A,B,C,D,E,F, G,H,I,J | 2BYS | 0.74 | ![]() |
BJI![]() | 1(R)-1-ACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACID | A | 1ERM | 0.73 | ![]() |
NOL![]() | N-[(BENZYLOXY)CARBONYL]-O-(TERT- BUTYL)-L-THREONYL-3-CYCLOHEXYL- N-[(1S)-2-HYDROXY-1-{[(3S)-2-OXOPYRROLIDIN- 3-YL]METHYL}ETHYL]-L-ALANINAMIDE | A | 2GX4 | 0.74 | ![]() |
OBE![]() | 3-(3-HYDROXY-BENZOYLOXY)-8-METHYL- 8-AZA-BICYCLO[3.2.1]OCTANE-2-CARBOXYLIC ACID | H | 1RIV | 0.89 | ![]() |
OIN![]() | (1R,5S)-8-METHYL-8-AZABICYCLO[3.2.1]OCT- 3-YL (2R)-3-HYDROXY-2-PHENYLPROPANOATE | A | 1TH6 | 0.79 | ![]() |
OIN![]() | (1R,5S)-8-METHYL-8-AZABICYCLO[3.2.1]OCT- 3-YL (2R)-3-HYDROXY-2-PHENYLPROPANOATE | A | 2ARM | 0.79 | ![]() |
AG6![]() | N-[(benzyloxy)carbonyl]-L-alpha- glutamyl-N-[(1S)-4-oxo-4-phenyl- 1-propylbut-2-en-1-yl]-L-phenylalaninamide | A | 3FRZ | 0.72 | ![]() |
RBE![]() | 3-(BENZOYLOXY)-8-AZA-BICYCLO[3.2.1]OCTANE- 2-CARBOXYLIC ACID | H | 1RIU | 0.98 | ![]() |
TGN![]() | 3-(HYDROXY-PHENYL-PHOSPHINOYLOXY)- 8-METHYL-8-AZA-BICYCLO[3.2.1]OCTANE- 2-CARBOXYLIC ACID METHYL ESTER | L | 2AJX | 0.76 | ![]() |
C40![]() | N-[(2R,4S,5S,7R)-4-AMINO-8-(BUTYLAMINO)- 5-HYDROXY-2,7-DIMETHYL-8-OXOOCTYL]- 2-(3-METHOXYPROPOXY)BENZAMIDE | A | 2V13 | 0.73 | ![]() |
1BH![]() | N-BENZYLOXYCARBONYL-ALA-PRO-3-AMINO- 4-PHENYL-BUTAN-2-OL | A | 1BH6 | 0.71 | ![]() |
ZU3![]() | N-[(benzyloxy)carbonyl]-3-[(2,2- dimethylpropanoyl)amino]-L-alanyl- N-[(1R)-4-oxo-1-{[(3S)-2-oxopyrrolidin- 3-yl]methyl}pentyl]-L-leucinamide | A | 2ZU4 | 0.7 | ![]() |
ZU3![]() | N-[(benzyloxy)carbonyl]-3-[(2,2- dimethylpropanoyl)amino]-L-alanyl- N-[(1R)-4-oxo-1-{[(3S)-2-oxopyrrolidin- 3-yl]methyl}pentyl]-L-leucinamide | A | 2ZU3 | 0.7 | ![]() |
KI2![]() | 3-BENZYLOXYCARBONYLAMINO-2-HYDROXY- 4-PHENYL-BUTYRIC ACID | A,B,I,J | 1NH0 | 0.72 | ![]() |
KI2![]() | 3-BENZYLOXYCARBONYLAMINO-2-HYDROXY- 4-PHENYL-BUTYRIC ACID | I | 1U8G | 0.72 | ![]() |
COC![]() | COCAINE | A,C | 1I7Z | 0.92 | ![]() |
COC![]() | COCAINE | H | 1Q72 | 0.92 | ![]() |
COC![]() | COCAINE | L | 2AJV | 0.92 | ![]() |
COC![]() | COCAINE | A,B,C,D,E | 2PGZ | 0.92 | ![]() |
PH5![]() | 2-PHENYL-PROP5AC | A,B | 2BVE | 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 | 0.73 | ![]() |
ADD![]() | 2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID | A,B,M,N | 1FJM | 0.72 | ![]() |
ADD![]() | 2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID | A | 1EVA | 0.72 | ![]() |
ADD![]() | 2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID | A | 1LCM | 0.72 | ![]() |
ADD![]() | 2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID | A,B,C,D,E,F, G,H | 2NYM | 0.72 | ![]() |
ADD![]() | 2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID | C,I | 2IE3 | 0.72 | ![]() |
ADD![]() | 2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID | C,F,X,Y | 2NPP | 0.72 | ![]() |
ADD![]() | 2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID | A | 1EVC | 0.72 | ![]() |
ADD![]() | 2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID | C,F,G,H | 3DW8 | 0.72 | ![]() |
ADD![]() | 2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID | A,B,C,D,E,F, G,H | 2NYL | 0.72 | ![]() |
ADD![]() | 2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID | A | 1EVD | 0.72 | ![]() |
ADD![]() | 2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID | A | 1EVB | 0.72 | ![]() |