Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01795660
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 |
OBN![]() | OUABAIN | H,L | 1IBG | 0.88 | ![]() |
DGX![]() | DIGOXIN | B,D | 1IGJ | 0.85 | ![]() |
SXN![]() | Salinixanthin | A,B | 3DDL | 0.81 | ![]() |
FUA![]() | FUSIDIC ACID | A | 1QCA | 0.8 | ![]() |
FUA![]() | FUSIDIC ACID | A,B,C,D,E,F, G,H,I,J,K,L | 1Q23 | 0.8 | ![]() |
FUA![]() | FUSIDIC ACID | A,B | 2VUF | 0.8 | ![]() |
MRC![]() | MUPIROCIN | A | 1JZS | 0.79 | ![]() |
MRC![]() | MUPIROCIN | A,T | 1FFY | 0.79 | ![]() |
MRC![]() | MUPIROCIN | A | 1QU3 | 0.79 | ![]() |
MRC![]() | MUPIROCIN | A,T | 1QU2 | 0.79 | ![]() |
GR4![]() | H,I | 1AWF | 0.79 | ![]() | |
FSC![]() | FUSICOCCIN | A | 1O9E | 0.78 | ![]() |
FSC![]() | FUSICOCCIN | A,P | 1O9F | 0.78 | ![]() |
FSC![]() | FUSICOCCIN | A,B | 2O98 | 0.78 | ![]() |
DOG![]() | DIGOXIGENIN | A | 1LKE | 0.78 | ![]() |
CXT![]() | CARBOXYATRACTYLOSIDE | A | 2C3E | 0.77 | ![]() |
CXT![]() | CARBOXYATRACTYLOSIDE | A | 1OKC | 0.77 | ![]() |
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 | ![]() |
DTX![]() | DIGITOXIGENIN | A | 1LNM | 0.77 | ![]() |
SRN![]() | SORANGICIN A | C,D | 1YNJ | 0.77 | ![]() |
ZBA![]() | 12,13-Epoxytrichothec-9-ene-3,4,8,15- tetrol-4,15-diacetate-8-isovalerate | A | 2RKV | 0.76 | ![]() |
ZBA![]() | 12,13-Epoxytrichothec-9-ene-3,4,8,15- tetrol-4,15-diacetate-8-isovalerate | A,B,C,D | 2ZBA | 0.76 | ![]() |
GMM![]() | GLUCOSE MONOMYCOLATE | A | 1UQS | 0.76 | ![]() |
FOK![]() | FORSKOLIN | A,C | 3C16 | 0.75 | ![]() |
FOK![]() | FORSKOLIN | A,C | 1CJU | 0.75 | ![]() |
FOK![]() | FORSKOLIN | A,C | 1TL7 | 0.75 | ![]() |
FOK![]() | FORSKOLIN | A,B | 1AB8 | 0.75 | ![]() |
FOK![]() | FORSKOLIN | A,C | 3C14 | 0.75 | ![]() |
FOK![]() | FORSKOLIN | A,C | 1CJT | 0.75 | ![]() |
FOK![]() | FORSKOLIN | A,B,C | 1CUL | 0.75 | ![]() |
FOK![]() | FORSKOLIN | A,C | 1CJV | 0.75 | ![]() |
FOK![]() | FORSKOLIN | A,C | 3C15 | 0.75 | ![]() |
FOK![]() | FORSKOLIN | A,C | 1U0H | 0.75 | ![]() |
FOK![]() | FORSKOLIN | A,B,C | 1CS4 | 0.75 | ![]() |
FOK![]() | FORSKOLIN | A,C | 1CJK | 0.75 | ![]() |
OKA![]() | OKADAIC ACID | A | 1JK7 | 0.75 | ![]() |
OKA![]() | OKADAIC ACID | C | 2IE4 | 0.75 | ![]() |
OKA![]() | OKADAIC ACID | A | 1U32 | 0.75 | ![]() |
PUL![]() | A | 2C78 | 0.75 | ![]() | |
TH2![]() | TESTOSTERONE HEMISUCCINATE | A,B | 2CBT | 0.73 | ![]() |
TH2![]() | TESTOSTERONE HEMISUCCINATE | A,B,C,D,E,F | 2CBQ | 0.73 | ![]() |
TH2![]() | TESTOSTERONE HEMISUCCINATE | A | 2CBO | 0.73 | ![]() |
0AS![]() | asiatic acid | A | 2QN1 | 0.73 | ![]() |
MOU![]() | A,B | 2NPF | 0.73 | ![]() | |
TG1![]() | A,B | 2AGV | 0.73 | ![]() | |
TG1![]() | A | 2ZBF | 0.73 | ![]() | |
TG1![]() | A | 2ZBG | 0.73 | ![]() | |
TG1![]() | A,B,C,D | 1WPG | 0.73 | ![]() | |
TG1![]() | A | 2C8L | 0.73 | ![]() | |
TG1![]() | A | 2EAR | 0.73 | ![]() | |
TG1![]() | A,B | 1IWO | 0.73 | ![]() | |
TG1![]() | A | 2C88 | 0.73 | ![]() | |
TG1![]() | A | 2DQS | 0.73 | ![]() | |
TG1![]() | A | 2C8K | 0.73 | ![]() | |
TG1![]() | A | 1XP5 | 0.73 | ![]() | |
TG1![]() | A | 2EAT | 0.73 | ![]() | |
E7B![]() | A,B | 3E7B | 0.73 | ![]() | |
PRB![]() | 13-ACETYLPHORBOL | A | 1PTR | 0.73 | ![]() |
GGD![]() | NONADEC-10-ENOIC ACID 2-[3,4-DIHYDROXY- 6-HYDROXYMETHYL-5-(3,4,5-TRIHYDROXY- 6-HYDROXYMETHYL-TETRAHYDRO-PYRAN- 2-YLOXY)-TETRAHYDRO-PYRAN-2-YLOXY]- 1-OCTADEC-9-ENOYLOXYMETHYL-ETHYL ESTER | H,L,M | 2J8C | 0.73 | ![]() |
GGD![]() | NONADEC-10-ENOIC ACID 2-[3,4-DIHYDROXY- 6-HYDROXYMETHYL-5-(3,4,5-TRIHYDROXY- 6-HYDROXYMETHYL-TETRAHYDRO-PYRAN- 2-YLOXY)-TETRAHYDRO-PYRAN-2-YLOXY]- 1-OCTADEC-9-ENOYLOXYMETHYL-ETHYL ESTER | L,M | 1M3X | 0.73 | ![]() |
20E![]() | (2beta,3beta,5beta,22R)-2,3,14,20,22,25- hexahydroxycholest-7-en-6-one | A,D | 2R40 | 0.72 | ![]() |
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 | 0.72 | ![]() |
B2S![]() | (3alpha,7alpha)-3,7,15-trihydroxy- 12,13-epoxytrichothec-9-en-8-one | A | 3B2S | 0.72 | ![]() |
SIH![]() | PROGESTERONE-11-ALPHA-OL-HEMISUCCINATE | H | 1DBM | 0.72 | ![]() |
CW1![]() | Cotylenin A | A,B,C,D | 3E6Y | 0.72 | ![]() |
PID![]() | PERIDININ | A | 2C9E | 0.72 | ![]() |
PID![]() | PERIDININ | M,N,O | 1PPR | 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 | ![]() |
CBW![]() | (3BETA,5BETA,14BETA)-3-HYDROXY- 11-OXOOLEAN-12-EN-29-OIC ACID | A | 2W4Q | 0.71 | ![]() |
FUG![]() | FUMAGILLIN | A,B | 3FMQ | 0.71 | ![]() |
FUG![]() | FUMAGILLIN | A | 1BOA | 0.71 | ![]() |
AB0![]() | 3,7:6,10:9,14-TRIANHYDRO-2,5,11,12,13- PENTADEOXY-4-O-(METHOXYMETHYL)- L-ARABINO-L-ALLO-TETRADEC-12-ENONIC ACID | H,L | 2E27 | 0.71 | ![]() |
CBO![]() | CARBENOXOLONE | A,B,C,D | 1HDC | 0.71 | ![]() |
CBO![]() | CARBENOXOLONE | A,B,C,D | 2BEL | 0.71 | ![]() |
SCG![]() | METHYL (2S,3R,4S)-2-(BETA-D-GLUCOPYRANOSYLOXY)- 4-(2-OXOETHYL)-3-VINYL-3,4-DIHYDRO- 2H-PYRAN-5-CARBOXYLATE | A,B | 2FPC | 0.71 | ![]() |
0MA![]() | maslinic acid | A | 2QN2 | 0.7 | ![]() |
RGC![]() | REIDISPONGIOLIDE C | A | 2ASP | 0.7 | ![]() |
AUR![]() | AUROVERTIN B | A,B,C,D,E,F | 1COW | 0.7 | ![]() |
SOD![]() | A | 2E1R | 0.7 | ![]() |