Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02477333
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 |
8PG![]() | (8S,12S)-15S-HYDROXY-9-OXOPROSTA- 10Z,13E-DIEN-1-OIC ACID | A,B | 2G5W | 0.79 | ![]() |
803![]() | LOVASTATIN | A,B | 1CQP | 0.73 | ![]() |
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 | 0.72 | ![]() |
AFB![]() | 1,6,7,8,9,11A,12,13,14,14A-DECAHYDRO- 1,13-DIHYDROXY-6-METHYL-4H-CYCLOPENT[F]OXACYCLOTRIDECIN- 4-ONE | A | 1RE0 | 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,E | 1S9D | 0.72 | ![]() |
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 | 0.78 | ![]() |
MRC![]() | MUPIROCIN | A | 1JZS | 0.71 | ![]() |
MRC![]() | MUPIROCIN | A,T | 1FFY | 0.71 | ![]() |
MRC![]() | MUPIROCIN | A | 1QU3 | 0.71 | ![]() |
MRC![]() | MUPIROCIN | A,T | 1QU2 | 0.71 | ![]() |
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 | 0.74 | ![]() |
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 | ![]() |
1CA![]() | DESOXYCORTICOSTERONE | A,B | 1Y9R | 0.7 | ![]() |
1CA![]() | DESOXYCORTICOSTERONE | A,B,C | 2ABI | 0.7 | ![]() |
1CA![]() | DESOXYCORTICOSTERONE | A | 2Q3Y | 0.7 | ![]() |
1CA![]() | DESOXYCORTICOSTERONE | A | 2AA7 | 0.7 | ![]() |
ZK5![]() | 9ALPHA-FLUOROCORTISOL | A | 1GS4 | 0.71 | ![]() |
164![]() | 2-(3-CARBOXYPROPIONYL)-6-HYDROXY- CYCLOHEXA-2,4-DIENE CARBOXYLIC ACID | A | 1R6W | 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 | 0.72 | ![]() |
OVA![]() | 3,4-DIHYDROXY-2-METHOXY-4-METHYL- 3-[2-METHYL-3-(3-METHYL-BUT-2-ENYL) - OXIRANYL]-CYCLOHEXANONE | A | 2GZ5 | 0.7 | ![]() |
OVA![]() | 3,4-DIHYDROXY-2-METHOXY-4-METHYL- 3-[2-METHYL-3-(3-METHYL-BUT-2-ENYL) - OXIRANYL]-CYCLOHEXANONE | A | 1B59 | 0.7 | ![]() |
PRB![]() | 13-ACETYLPHORBOL | A | 1PTR | 0.82 | ![]() |
GR4![]() | H,I | 1AWF | 0.72 | ![]() | |
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 | 0.77 | ![]() |
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 | ![]() | |
GA3![]() | GIBBERELLIN A3 | A | 2ZSH | 0.72 | ![]() |
GA3![]() | GIBBERELLIN A3 | A,B,C,D,E,F | 3ED1 | 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 | ![]() |
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 | 0.77 | ![]() |
114![]() | COMPACTIN | A,B,C,D | 1HW8 | 0.77 | ![]() |
RGC![]() | REIDISPONGIOLIDE C | A | 2ASP | 0.77 | ![]() |
DEX![]() | DEXAMETHASONE | A,D | 1M2Z | 0.71 | ![]() |
DEX![]() | DEXAMETHASONE | A,B,C,D | 1P93 | 0.71 | ![]() |
E7B![]() | A,B | 3E7B | 0.74 | ![]() | |
CBO![]() | CARBENOXOLONE | A,B,C,D | 1HDC | 0.72 | ![]() |
CBO![]() | CARBENOXOLONE | A,B,C,D | 2BEL | 0.72 | ![]() |
TES![]() | TESTOSTERONE | A | 1JTV | 0.73 | ![]() |
TES![]() | TESTOSTERONE | A | 2Q7L | 0.73 | ![]() |
TES![]() | TESTOSTERONE | A | 2Q7I | 0.73 | ![]() |
TES![]() | TESTOSTERONE | A,B | 1J96 | 0.73 | ![]() |
TES![]() | TESTOSTERONE | A | 2Q7K | 0.73 | ![]() |
TES![]() | TESTOSTERONE | A,B | 1Q13 | 0.73 | ![]() |
TES![]() | TESTOSTERONE | H | 1I9J | 0.73 | ![]() |
TES![]() | TESTOSTERONE | A,B | 1AFS | 0.73 | ![]() |
TES![]() | TESTOSTERONE | H | 1VPO | 0.73 | ![]() |
TES![]() | TESTOSTERONE | A | 2Q7J | 0.73 | ![]() |
TES![]() | TESTOSTERONE | A,B | 3BUR | 0.73 | ![]() |
TES![]() | TESTOSTERONE | A | 2AM9 | 0.73 | ![]() |
OPD![]() | 9R,13R-12-OXOPHYTODIENOIC ACID | A,B | 1ICQ | 0.7 | ![]() |
DOG![]() | DIGOXIGENIN | A | 1LKE | 0.72 | ![]() |
FUA![]() | FUSIDIC ACID | A | 1QCA | 0.79 | ![]() |
FUA![]() | FUSIDIC ACID | A,B,C,D,E,F, G,H,I,J,K,L | 1Q23 | 0.79 | ![]() |
FUA![]() | FUSIDIC ACID | A,B | 2VUF | 0.79 | ![]() |
PG2![]() | PROSTAGLANDIN D2 | A,B | 1RY0 | 0.73 | ![]() |
C0R![]() | CORTICOSTERONE | A | 2A3I | 0.74 | ![]() |
C0R![]() | CORTICOSTERONE | A,B | 1Y5R | 0.74 | ![]() |
SIH![]() | PROGESTERONE-11-ALPHA-OL-HEMISUCCINATE | H | 1DBM | 0.77 | ![]() |
PUL![]() | A | 2C78 | 0.72 | ![]() | |
B2S![]() | (3alpha,7alpha)-3,7,15-trihydroxy- 12,13-epoxytrichothec-9-en-8-one | A | 3B2S | 0.7 | ![]() |
DTX![]() | DIGITOXIGENIN | A | 1LNM | 0.72 | ![]() |
PDN![]() | 17,21-DIHYDROXYPREGNA-1,4-DIENE- 3,11,20-TRIONE | A | 3EAU | 0.72 | ![]() |
PDN![]() | 17,21-DIHYDROXYPREGNA-1,4-DIENE- 3,11,20-TRIONE | A | 3EB3 | 0.72 | ![]() |
PDN![]() | 17,21-DIHYDROXYPREGNA-1,4-DIENE- 3,11,20-TRIONE | A | 3EB4 | 0.72 | ![]() |
PDN![]() | 17,21-DIHYDROXYPREGNA-1,4-DIENE- 3,11,20-TRIONE | A,B | 2AAX | 0.72 | ![]() |
PDN![]() | 17,21-DIHYDROXYPREGNA-1,4-DIENE- 3,11,20-TRIONE | A | 1H61 | 0.72 | ![]() |
PDN![]() | 17,21-DIHYDROXYPREGNA-1,4-DIENE- 3,11,20-TRIONE | A,B | 3CMF | 0.72 | ![]() |
PDN![]() | 17,21-DIHYDROXYPREGNA-1,4-DIENE- 3,11,20-TRIONE | A | 2Q1V | 0.72 | ![]() |
5OP![]() | (5E,13E)-11-HYDROXY-9,15-DIOXOPROSTA- 5,13-DIEN-1-OIC ACID | A | 2ZB4 | 0.73 | ![]() |
5OP![]() | (5E,13E)-11-HYDROXY-9,15-DIOXOPROSTA- 5,13-DIEN-1-OIC ACID | A,B | 1V3V | 0.73 | ![]() |
AS4![]() | ALDOSTERONE | A | 2AA2 | 0.71 | ![]() |
AS4![]() | ALDOSTERONE | A | 2Q1H | 0.71 | ![]() |
FFA![]() | (10ALPHA,13ALPHA,14BETA,17ALPHA)- 17-HYDROXYANDROST-4-EN-3-ONE | A,B | 2IPG | 0.73 | ![]() |
FFA![]() | (10ALPHA,13ALPHA,14BETA,17ALPHA)- 17-HYDROXYANDROST-4-EN-3-ONE | A,B | 2IPJ | 0.73 | ![]() |
FFA![]() | (10ALPHA,13ALPHA,14BETA,17ALPHA)- 17-HYDROXYANDROST-4-EN-3-ONE | A,B | 2IPF | 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 | 0.78 | ![]() |
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 | 0.77 | ![]() |
P1A![]() | 2,3,14,20,22-PENTAHYDROXYCHOLEST- 7-EN-6-ONE | E,U | 1Z5X | 0.77 | ![]() |
P1A![]() | 2,3,14,20,22-PENTAHYDROXYCHOLEST- 7-EN-6-ONE | E,F,G,H | 2NXX | 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 | 0.76 | ![]() |
CBW![]() | (3BETA,5BETA,14BETA)-3-HYDROXY- 11-OXOOLEAN-12-EN-29-OIC ACID | A | 2W4Q | 0.74 | ![]() |
SIM![]() | SIMVASTATIN | A,B,C,D | 1HW9 | 0.79 | ![]() |