Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03101886
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 |
LOB![]() | LOBELINE | A,B,C,D,E,F, G,H,I,J | 2BYS | 0.82 | ![]() |
BJP![]() | (1R)-2-PHENYLACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACID | A | 1ERO | 0.74 | ![]() |
HTQ![]() | HOMOTROPINE | A,B,C | 2DQZ | 0.81 | ![]() |
HTQ![]() | HOMOTROPINE | A,B,C,D,E,F | 1MX5 | 0.81 | ![]() |
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 | 0.7 | ![]() |
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 | 0.7 | ![]() |
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 | ![]() |
HC6![]() | (2S,2'S)-2,2'-biphenyl-4,4'-diylbis(2- hydroxy-4,4-dimethylmorpholin-4- ium) | A,B | 3F2R | 0.77 | ![]() |
HC6![]() | (2S,2'S)-2,2'-biphenyl-4,4'-diylbis(2- hydroxy-4,4-dimethylmorpholin-4- ium) | A,B | 3G15 | 0.77 | ![]() |
COC![]() | COCAINE | A,C | 1I7Z | 0.71 | ![]() |
COC![]() | COCAINE | H | 1Q72 | 0.71 | ![]() |
COC![]() | COCAINE | L | 2AJV | 0.71 | ![]() |
COC![]() | COCAINE | A,B,C,D,E | 2PGZ | 0.71 | ![]() |
PSA![]() | 3-HYDROXY-4-AMINO-5-PHENYLPENTANOIC ACID | I | 1EPL | 0.71 | ![]() |
PSA![]() | 3-HYDROXY-4-AMINO-5-PHENYLPENTANOIC ACID | A,B,C,D | 2IFW | 0.71 | ![]() |
PSA![]() | 3-HYDROXY-4-AMINO-5-PHENYLPENTANOIC ACID | E,I | 1EPM | 0.71 | ![]() |
ADD![]() | 2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID | A,B,M,N | 1FJM | 0.71 | ![]() |
ADD![]() | 2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID | A | 1EVA | 0.71 | ![]() |
ADD![]() | 2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID | A | 1LCM | 0.71 | ![]() |
ADD![]() | 2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID | A,B,C,D,E,F, G,H | 2NYM | 0.71 | ![]() |
ADD![]() | 2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID | C,I | 2IE3 | 0.71 | ![]() |
ADD![]() | 2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID | C,F,X,Y | 2NPP | 0.71 | ![]() |
ADD![]() | 2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID | A | 1EVC | 0.71 | ![]() |
ADD![]() | 2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID | C,F,G,H | 3DW8 | 0.71 | ![]() |
ADD![]() | 2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID | A,B,C,D,E,F, G,H | 2NYL | 0.71 | ![]() |
ADD![]() | 2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID | A | 1EVD | 0.71 | ![]() |
ADD![]() | 2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID | A | 1EVB | 0.71 | ![]() |
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 | ![]() |
HV8![]() | BENZYL-2-AMINO-PARAMETHOXY-BENZYLSTATINE | C | 1A8G | 0.7 | ![]() |
BR4![]() | 6-PHENYL-4(R)-(7-PHENYL-HEPTANOYLAMINO)- HEXANOIC ACID | A | 1KQU | 0.71 | ![]() |
BJI![]() | 1(R)-1-ACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACID | A | 1ERM | 0.71 | ![]() |
BS1![]() | (3-EXO)-3-(10,11-DIHYDRO-5H-DIBENZO[A,D][7]ANNULEN- 5-YLOXY)-8,8-DIMETHYL-8-AZONIABICYCLO[3.2.1]OCTANE | A,F | 2W8F | 0.71 | ![]() |
HC7![]() | (2S)-2-[4'-({dimethyl[2-(phosphonooxy)ethyl]ammonio}acetyl)biphenyl- 4-yl]-2-hydroxy-4,4-dimethylmorpholin- 4-ium | A | 3FEG | 0.77 | ![]() |
2PM![]() | N-[2-(BENZHYDRYLOXY)ETHYL]-N,N- DIMETHYLAMINE | A,B | 2AOT | 0.72 | ![]() |
RMN![]() | (R)-MANDELIC ACID | A | 1MDL | 0.71 | ![]() |
RMN![]() | (R)-MANDELIC ACID | A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P | 1MCZ | 0.71 | ![]() |
AOE![]() | N-BUTYL-11-[(7R,8R,9S,13S,14S,17S)- 3,17-DIHYDROXY-13-METHYL-7,8,9,11,12,13,14,15,16,17- DECAHYDRO-6H-CYCLOPENTA[A]PHENANTHREN- 7-YL]-N-METHYLUNDECANAMIDE | A | 1HJ1 | 0.72 | ![]() |
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 | ![]() |
KI2![]() | 3-BENZYLOXYCARBONYLAMINO-2-HYDROXY- 4-PHENYL-BUTYRIC ACID | A,B,I,J | 1NH0 | 0.73 | ![]() |
KI2![]() | 3-BENZYLOXYCARBONYLAMINO-2-HYDROXY- 4-PHENYL-BUTYRIC ACID | I | 1U8G | 0.73 | ![]() |
FRF![]() | PHE-REDUCED-PHE | A,I | 1GVX | 0.71 | ![]() |
SMN![]() | (S)-MANDELIC ACID | A | 1MDL | 0.71 | ![]() |
BHP![]() | (S)-5-(4-BENZYLOXY-PHENYL)-4-(7- PHENYL-HEPTANOYLAMINO)-PENTANOIC ACID | A,B | 1J1A | 0.7 | ![]() |
SBX![]() | 1-CYCLOHEXYL-3-PHENYL-1-PROPYL- 1-(3,3-DIMETHYL-1,2-DIOXYPENTYL)- 2-PIPERIDINE CARBOXYLATE | A | 1FKH | 0.77 | ![]() |
1BH![]() | N-BENZYLOXYCARBONYL-ALA-PRO-3-AMINO- 4-PHENYL-BUTAN-2-OL | A | 1BH6 | 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 | 0.71 | ![]() |
SB3![]() | 1,3-DIPHENYL-1-PROPYL-1-(3,3-DIMETHYL- 1,2-DIOXYPENTYL)-2-PIPERIDINE CARBOXYLATE | A | 1FKG | 0.81 | ![]() |
TTB![]() | 4-[(1E)-2-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRONAPHTHALEN-2- YL)PROP-1-ENYL]BENZOIC ACID | A | 1XAP | 0.71 | ![]() |
WR1![]() | NALPHA-[(BENZYLOXY)CARBONYL]-N- [(1R)-4-HYDROXY-1-METHYL-2-OXOBUTYL]- L-PHENYLALANINAMIDE | A,B | 2OP9 | 0.72 | ![]() |
BCG![]() | 3-(BENZOYLOXY)-8-METHYL-8-AZABICYCLO[3.2.1]OCTANE- 2-CARBOXYLIC ACID | H | 1QYG | 0.73 | ![]() |