Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01727039
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 |
EAH | (5S,7E,9E,11Z,14Z)-5-hydroxyicosa- 7,9,11,14-tetraenoic acid | A | 3DZT | 0.71 | |
0MA | maslinic acid | A | 2QN2 | 0.7 | |
HO2 | (9E,11E,13S)-13-hydroxyoctadeca- 9,11-dienoic acid | A | 3DBM | 0.71 | |
9OH | (TRANS-12,13-EPOXY)-9-HYDROXY-10(E)- OCTADECENOIC ACID | A | 1IK3 | 0.73 | |
MVB | (1S,7S,8S,8AR)-1,2,3,7,8,8A-HEXAHYDRO- 7-METHYL-8-[2-[(2R,4R)-TETRAHYDRO- 4-HY DROXY-6-OXO-2H-PYRAN-2-YL]ETHYL]- 1-NAPHTHALENOL | A,B,C | 1YA8 | 0.75 | |
SIM | SIMVASTATIN | A,B,C,D | 1HW9 | 0.74 | |
6OC | (8R,9Z,12Z)-8-hydroxy-6-oxooctadeca- 9,12-dienoic acid | A,B | 2VV4 | 0.77 | |
GR3 | 3-ACETOXY-17-(1-FORMYL-5-METHYL- 3-OXO-HEX-4-ENYL)-16-HYDROXY-4,10,13,14- TETRAMETHYL-2,3,4,5,6,9,10,11,12,13,14,15,16,17- TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHRENE- 4-CARBOXYLIC ACID | B,D | 1AWH | 0.72 | |
AFB | 1,6,7,8,9,11A,12,13,14,14A-DECAHYDRO- 1,13-DIHYDROXY-6-METHYL-4H-CYCLOPENT[F]OXACYCLOTRIDECIN- 4-ONE | A,B,E | 1R8Q | 0.7 | |
AFB | 1,6,7,8,9,11A,12,13,14,14A-DECAHYDRO- 1,13-DIHYDROXY-6-METHYL-4H-CYCLOPENT[F]OXACYCLOTRIDECIN- 4-ONE | A | 1RE0 | 0.7 | |
AFB | 1,6,7,8,9,11A,12,13,14,14A-DECAHYDRO- 1,13-DIHYDROXY-6-METHYL-4H-CYCLOPENT[F]OXACYCLOTRIDECIN- 4-ONE | A,E | 1S9D | 0.7 | |
OLC | (2R)-2,3-dihydroxypropyl (9Z)-octadec- 9-enoate | A | 3D4S | 0.74 | |
RCL | RICINOLEIC ACID | A | 2CM4 | 0.78 | |
RCL | RICINOLEIC ACID | A | 2CM9 | 0.78 | |
RCL | RICINOLEIC ACID | A | 1FK7 | 0.78 | |
DL7 | (5beta,14beta,17alpha,25R)-3-oxocholest- 7-en-26-oic acid | A | 3GYU | 0.71 | |
ASY | (12E)-10-oxooctadec-12-enoic acid | A,B | 3CEE | 0.72 | |
AND | 3-BETA-HYDROXY-5-ANDROSTEN-17-ONE | A,B | 1E3R | 0.71 | |
AND | 3-BETA-HYDROXY-5-ANDROSTEN-17-ONE | A | 3DHE | 0.71 | |
AND | 3-BETA-HYDROXY-5-ANDROSTEN-17-ONE | A | 1J99 | 0.71 | |
AND | 3-BETA-HYDROXY-5-ANDROSTEN-17-ONE | A | 1COY | 0.71 | |
AND | 3-BETA-HYDROXY-5-ANDROSTEN-17-ONE | A | 1Q22 | 0.71 | |
8PG | (8S,12S)-15S-HYDROXY-9-OXOPROSTA- 10Z,13E-DIEN-1-OIC ACID | A,B | 2G5W | 0.82 | |
TH2 | TESTOSTERONE HEMISUCCINATE | A,B | 2CBT | 0.72 | |
TH2 | TESTOSTERONE HEMISUCCINATE | A,B,C,D,E,F | 2CBQ | 0.72 | |
TH2 | TESTOSTERONE HEMISUCCINATE | A | 2CBO | 0.72 | |
164 | 2-(3-CARBOXYPROPIONYL)-6-HYDROXY- CYCLOHEXA-2,4-DIENE CARBOXYLIC ACID | A | 1R6W | 0.74 | |
13R | 13(R)-HYDROPEROXY-9(Z),11(E)-OCTADECADIENOIC ACID | A | 1IK3 | 0.71 | |
13T | 13-DEOXYTEDANOLIDE | 0,1,3,9,A,B, C,H,J,K,L,M, N,O,Q,R,S,T, U,Y,Z | 2OTJ | 0.72 | |
OPD | 9R,13R-12-OXOPHYTODIENOIC ACID | A,B | 1ICQ | 0.78 | |
PG2 | PROSTAGLANDIN D2 | A,B | 1RY0 | 0.89 | |
PLO | (3BETA)-3-HYDROXYPREGN-5-EN-20- ONE | A | 1Q20 | 0.72 | |
243 | (9Z,11E,13S)-13-hydroxyoctadeca- 9,11-dienoic acid | A,B | 3DSJ | 0.71 | |
243 | (9Z,11E,13S)-13-hydroxyoctadeca- 9,11-dienoic acid | A,B | 2RCH | 0.71 | |
243 | (9Z,11E,13S)-13-hydroxyoctadeca- 9,11-dienoic acid | A,B | 2VST | 0.71 | |
E4H | (3R,4S,5S,7R,9E,11R,12R)-12-ETHYL- 4-HYDROXY-3,5,7,11-TETRAMETHYLOXACYCLODODEC- 9-ENE-2,8-DIONE | A,B | 2HFK | 0.84 | |
1NB | 2-(2-HYDROXY-CYCLOPENTYL)-PENT- 4-ENAL | P | 1BRU | 0.76 | |
SIH | PROGESTERONE-11-ALPHA-OL-HEMISUCCINATE | H | 1DBM | 0.7 | |
2OB | CHOLESTERYL OLEATE | A | 2OBD | 0.7 | |
T24 | (9Z,11E,13S,15Z)-13-hydroxyoctadeca- 9,11,15-trienoic acid | A,B | 3DSI | 0.71 | |
GMM | GLUCOSE MONOMYCOLATE | A | 1UQS | 0.73 | |
9HO | (9S,10E,12Z)-9-hydroxyoctadeca- 10,12-dienoic acid | A,B | 2VSR | 0.71 | |
11O | (TRANS-12,13-EPOXY)-11-HYDROXY- 9(Z)-OCTADECENOIC ACID | A | 1IK3 | 0.71 | |
13S | 13(S)-HYDROPEROXY-9(Z),11(E)-OCTADECADIENOIC ACID | A | 1IK3 | 0.71 | |
CLL | CHOLESTERYL LINOLEATE | A,B | 1CLE | 0.7 | |
5OP | (5E,13E)-11-HYDROXY-9,15-DIOXOPROSTA- 5,13-DIEN-1-OIC ACID | A | 2ZB4 | 0.89 | |
5OP | (5E,13E)-11-HYDROXY-9,15-DIOXOPROSTA- 5,13-DIEN-1-OIC ACID | A,B | 1V3V | 0.89 | |
803 | LOVASTATIN | A,B | 1CQP | 0.76 | |
114 | COMPACTIN | A,B,C,D | 1HW8 | 0.76 | |
LVA | (3R,5R)-7-((1R,2R,6S,8R,8AS)-2,6- DIMETHYL-8-{[(2R)-2-METHYLBUTANOYL]OXY}- 1,2,6,7,8,8A-HEXAHYDRONAPHTHALEN- 1-YL)-3,5-DIHYDROXYHEPTANOIC ACID | A,B | 1T02 | 0.76 | |
RGC | REIDISPONGIOLIDE C | A | 2ASP | 0.71 | |
T25 | (9Z)-11-[(2R,3S)-3-pentyloxiran- 2-yl]undec-9-enoic acid | A,B | 2RCL | 0.75 | |
T25 | (9Z)-11-[(2R,3S)-3-pentyloxiran- 2-yl]undec-9-enoic acid | A,B | 3DSK | 0.75 | |
PGX | 7-[6-(3-HYDROPEROXY-OCT-1-ENYL)- 2,3-DIOXA-BICYCLO[2.2.1]HEPT-5- YL]-HEPT-5-ENOIC ACID | A,B,C,D | 1DDX | 0.77 | |
NTH | SUCCINIC ACID MONO-(13-METHYL-3- OXO-2,3,6,7,8,9,10,11,12,13,14,15,16,17- TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN- 17-YL) ESTER | A,B | 1BUQ | 0.71 | |
6OB | (8E,10S,12Z)-10-hydroxy-6-oxooctadeca- 8,12-dienoic acid | A,B | 2VV4 | 0.76 |