Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03462738
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 |
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 | 0.75 | |
114 | COMPACTIN | A,B,C,D | 1HW8 | 0.75 | |
TES | TESTOSTERONE | A | 1JTV | 0.7 | |
TES | TESTOSTERONE | A | 2Q7L | 0.7 | |
TES | TESTOSTERONE | A | 2Q7I | 0.7 | |
TES | TESTOSTERONE | A,B | 1J96 | 0.7 | |
TES | TESTOSTERONE | A | 2Q7K | 0.7 | |
TES | TESTOSTERONE | A,B | 1Q13 | 0.7 | |
TES | TESTOSTERONE | H | 1I9J | 0.7 | |
TES | TESTOSTERONE | A,B | 1AFS | 0.7 | |
TES | TESTOSTERONE | H | 1VPO | 0.7 | |
TES | TESTOSTERONE | A | 2Q7J | 0.7 | |
TES | TESTOSTERONE | A,B | 3BUR | 0.7 | |
TES | TESTOSTERONE | A | 2AM9 | 0.7 | |
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 | 0.71 | |
20E | (2beta,3beta,5beta,22R)-2,3,14,20,22,25- hexahydroxycholest-7-en-6-one | A,D | 2R40 | 0.72 | |
CDZ | 3,5-dihydroxy-4,6,6-tris(3-methylbut- 2-en-1-yl)-2-(2-methylpropanoyl)cyclohexa- 2,4-dien-1-one | A | 2QNV | 0.73 | |
SIM | SIMVASTATIN | A,B,C,D | 1HW9 | 0.78 | |
OVA | 3,4-DIHYDROXY-2-METHOXY-4-METHYL- 3-[2-METHYL-3-(3-METHYL-BUT-2-ENYL) - OXIRANYL]-CYCLOHEXANONE | A | 2GZ5 | 0.73 | |
OVA | 3,4-DIHYDROXY-2-METHOXY-4-METHYL- 3-[2-METHYL-3-(3-METHYL-BUT-2-ENYL) - OXIRANYL]-CYCLOHEXANONE | A | 1B59 | 0.73 | |
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 | 0.76 | |
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 | 0.7 | |
VTQ | RRR-ALPHA-TOCOPHERYLQUINONE | A,C,E | 1OLM | 0.71 | |
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 | 0.71 | |
FFA | (10ALPHA,13ALPHA,14BETA,17ALPHA)- 17-HYDROXYANDROST-4-EN-3-ONE | A,B | 2IPG | 0.7 | |
FFA | (10ALPHA,13ALPHA,14BETA,17ALPHA)- 17-HYDROXYANDROST-4-EN-3-ONE | A,B | 2IPJ | 0.7 | |
FFA | (10ALPHA,13ALPHA,14BETA,17ALPHA)- 17-HYDROXYANDROST-4-EN-3-ONE | A,B | 2IPF | 0.7 | |
CBW | (3BETA,5BETA,14BETA)-3-HYDROXY- 11-OXOOLEAN-12-EN-29-OIC ACID | A | 2W4Q | 0.7 | |
ZK5 | 9ALPHA-FLUOROCORTISOL | A | 1GS4 | 0.7 | |
HYF | 4-HYDROXY-5-ISOBUTYRYL-6-METHYL- 1,3,7-TRIS-(3-METHYL-BUT-2-ENYL)- 6-(4-METHYL-PENT-3-ENYL)-BICYCLO[3.3.1]NON- 3-ENE-2,9-DIONE | A | 1M13 | 0.78 | |
C0R | CORTICOSTERONE | A | 2A3I | 0.72 | |
C0R | CORTICOSTERONE | A,B | 1Y5R | 0.72 | |
803 | LOVASTATIN | A,B | 1CQP | 0.71 | |
PG2 | PROSTAGLANDIN D2 | A,B | 1RY0 | 0.7 | |
AND | 3-BETA-HYDROXY-5-ANDROSTEN-17-ONE | A,B | 1E3R | 0.72 | |
AND | 3-BETA-HYDROXY-5-ANDROSTEN-17-ONE | A | 3DHE | 0.72 | |
AND | 3-BETA-HYDROXY-5-ANDROSTEN-17-ONE | A | 1J99 | 0.72 | |
AND | 3-BETA-HYDROXY-5-ANDROSTEN-17-ONE | A | 1COY | 0.72 | |
AND | 3-BETA-HYDROXY-5-ANDROSTEN-17-ONE | A | 1Q22 | 0.72 | |
PLO | (3BETA)-3-HYDROXYPREGN-5-EN-20- ONE | A | 1Q20 | 0.73 | |
GMM | GLUCOSE MONOMYCOLATE | A | 1UQS | 0.7 | |
HCY | (11alpha,14beta)-11,17,21-trihydroxypregn- 4-ene-3,20-dione | A,B | 2VDY | 0.72 | |
HCY | (11alpha,14beta)-11,17,21-trihydroxypregn- 4-ene-3,20-dione | A | 2V95 | 0.72 | |
P1A | 2,3,14,20,22-PENTAHYDROXYCHOLEST- 7-EN-6-ONE | A,D | 1R1K | 0.72 | |
P1A | 2,3,14,20,22-PENTAHYDROXYCHOLEST- 7-EN-6-ONE | E,U | 1Z5X | 0.72 | |
P1A | 2,3,14,20,22-PENTAHYDROXYCHOLEST- 7-EN-6-ONE | E,F,G,H | 2NXX | 0.72 |