Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02495222
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 |
0MA![]() | maslinic acid | A | 2QN2 | 0.7 | ![]() |
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 | 0.74 | ![]() |
TH2![]() | TESTOSTERONE HEMISUCCINATE | A,B | 2CBT | 0.75 | ![]() |
TH2![]() | TESTOSTERONE HEMISUCCINATE | A,B,C,D,E,F | 2CBQ | 0.75 | ![]() |
TH2![]() | TESTOSTERONE HEMISUCCINATE | A | 2CBO | 0.75 | ![]() |
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 | 0.74 | ![]() |
114![]() | COMPACTIN | A,B,C,D | 1HW8 | 0.74 | ![]() |
CXT![]() | CARBOXYATRACTYLOSIDE | A | 2C3E | 0.72 | ![]() |
CXT![]() | CARBOXYATRACTYLOSIDE | A | 1OKC | 0.72 | ![]() |
WIN![]() | methyl (5beta,7alpha,9beta,10alpha,11alpha,12alpha,13beta,15alpha)- 15-{[(2E)-3,4-dimethylpent-2-enoyl]oxy}- 3,11,12-trihydroxy-2,16-dioxo-13,20- epoxypicras-3-en-21-oate | 0,1,2,3,9,A, B,C,F,H,J,K, L,M,N,O,Q,R, S,T,U,Y,Z | 3G71 | 0.77 | ![]() |
803![]() | LOVASTATIN | A,B | 1CQP | 0.74 | ![]() |
0AS![]() | asiatic acid | A | 2QN1 | 0.74 | ![]() |
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 | 0.73 | ![]() |
P1A![]() | 2,3,14,20,22-PENTAHYDROXYCHOLEST- 7-EN-6-ONE | A,D | 1R1K | 0.71 | ![]() |
P1A![]() | 2,3,14,20,22-PENTAHYDROXYCHOLEST- 7-EN-6-ONE | E,U | 1Z5X | 0.71 | ![]() |
P1A![]() | 2,3,14,20,22-PENTAHYDROXYCHOLEST- 7-EN-6-ONE | E,F,G,H | 2NXX | 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 | 0.75 | ![]() |
HCY![]() | (11alpha,14beta)-11,17,21-trihydroxypregn- 4-ene-3,20-dione | A,B | 2VDY | 0.71 | ![]() |
HCY![]() | (11alpha,14beta)-11,17,21-trihydroxypregn- 4-ene-3,20-dione | A | 2V95 | 0.71 | ![]() |
FOK![]() | FORSKOLIN | A,C | 3C16 | 0.77 | ![]() |
FOK![]() | FORSKOLIN | A,C | 1CJU | 0.77 | ![]() |
FOK![]() | FORSKOLIN | A,C | 1TL7 | 0.77 | ![]() |
FOK![]() | FORSKOLIN | A,B | 1AB8 | 0.77 | ![]() |
FOK![]() | FORSKOLIN | A,C | 3C14 | 0.77 | ![]() |
FOK![]() | FORSKOLIN | A,C | 1CJT | 0.77 | ![]() |
FOK![]() | FORSKOLIN | A,B,C | 1CUL | 0.77 | ![]() |
FOK![]() | FORSKOLIN | A,C | 1CJV | 0.77 | ![]() |
FOK![]() | FORSKOLIN | A,C | 3C15 | 0.77 | ![]() |
FOK![]() | FORSKOLIN | A,C | 1U0H | 0.77 | ![]() |
FOK![]() | FORSKOLIN | A,B,C | 1CS4 | 0.77 | ![]() |
FOK![]() | FORSKOLIN | A,C | 1CJK | 0.77 | ![]() |
E7B![]() | A,B | 3E7B | 0.71 | ![]() | |
SIH![]() | PROGESTERONE-11-ALPHA-OL-HEMISUCCINATE | H | 1DBM | 0.77 | ![]() |
CBO![]() | CARBENOXOLONE | A,B,C,D | 1HDC | 0.76 | ![]() |
CBO![]() | CARBENOXOLONE | A,B,C,D | 2BEL | 0.76 | ![]() |
SIM![]() | SIMVASTATIN | A,B,C,D | 1HW9 | 0.76 | ![]() |
GR4![]() | H,I | 1AWF | 0.8 | ![]() | |
CBW![]() | (3BETA,5BETA,14BETA)-3-HYDROXY- 11-OXOOLEAN-12-EN-29-OIC ACID | A | 2W4Q | 0.73 | ![]() |
20E![]() | (2beta,3beta,5beta,22R)-2,3,14,20,22,25- hexahydroxycholest-7-en-6-one | A,D | 2R40 | 0.71 | ![]() |