Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03090667
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 |
JN3![]() | CHENODEOXYCHOLIC ACID | A | 2JN3 | 0.73 | ![]() |
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 | 0.7 | ![]() |
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 | 0.73 | ![]() |
IU5![]() | ISO-URSODEOXYCHOLIC ACID | A,B | 1IHI | 0.73 | ![]() |
IU5![]() | ISO-URSODEOXYCHOLIC ACID | A,B | 1OT7 | 0.73 | ![]() |
CHD![]() | CHOLIC ACID | A,B | 2PNJ | 0.73 | ![]() |
CHD![]() | CHOLIC ACID | A,B | 1HRK | 0.73 | ![]() |
CHD![]() | CHOLIC ACID | A,B | 2PO7 | 0.73 | ![]() |
CHD![]() | CHOLIC ACID | A | 2QO6 | 0.73 | ![]() |
CHD![]() | CHOLIC ACID | A,B,C,E,F,G, I,J,M,N,O,P, Q,S,T,V,W,Z | 1V55 | 0.73 | ![]() |
CHD![]() | CHOLIC ACID | A | 2AZY | 0.73 | ![]() |
CHD![]() | CHOLIC ACID | A,B,C | 2DQY | 0.73 | ![]() |
CHD![]() | CHOLIC ACID | A,B,C,D,F,G, I,J,L,M,N,O, P,S,T,V,W,Y,Z | 2EIN | 0.73 | ![]() |
CHD![]() | CHOLIC ACID | A,B,C,F,G,I, J,L,M,N,O,P, S,T,V,W,Z | 2EIJ | 0.73 | ![]() |
CHD![]() | CHOLIC ACID | A,B,C,D | 2QD1 | 0.73 | ![]() |
CHD![]() | CHOLIC ACID | A | 2FT9 | 0.73 | ![]() |
CHD![]() | CHOLIC ACID | A,B | 2HRC | 0.73 | ![]() |
CHD![]() | CHOLIC ACID | A,B | 1TW4 | 0.73 | ![]() |
CHD![]() | CHOLIC ACID | A,B | 2QD3 | 0.73 | ![]() |
CHD![]() | CHOLIC ACID | A,B,C,D,E,F, G,I,J,L,M,N, O,P,Q,S,T,V, W,Z | 1V54 | 0.73 | ![]() |
CHD![]() | CHOLIC ACID | A | 2RLC | 0.73 | ![]() |
CHD![]() | CHOLIC ACID | A,B | 1ON5 | 0.73 | ![]() |
CHD![]() | CHOLIC ACID | A,B,C,D,F,G, J,L,M,N,O,P, S,T,W,Z | 2ZXW | 0.73 | ![]() |
CHD![]() | CHOLIC ACID | A,B | 2QD4 | 0.73 | ![]() |
CHD![]() | CHOLIC ACID | A | 2QO5 | 0.73 | ![]() |
CHD![]() | CHOLIC ACID | A,B,C,D,F,G, I,J,L,M,N,O, P,S,T,V,W,Z | 2DYS | 0.73 | ![]() |
CHD![]() | CHOLIC ACID | A,B | 2QD2 | 0.73 | ![]() |
CHD![]() | CHOLIC ACID | A,B,C | 3ELZ | 0.73 | ![]() |
CHD![]() | CHOLIC ACID | A,B | 2PO5 | 0.73 | ![]() |
CHD![]() | CHOLIC ACID | A,B | 1S9Q | 0.73 | ![]() |
CHD![]() | CHOLIC ACID | A,B | 1EE2 | 0.73 | ![]() |
CHD![]() | CHOLIC ACID | A,B,C,D,F,G, I,J,L,M,N,O, P,Q,S,T,V,W,Z | 2DYR | 0.73 | ![]() |
CHD![]() | CHOLIC ACID | A,B,C,D,F,G, I,J,L,M,N,O, P,S,T,V,W,Z | 2EIM | 0.73 | ![]() |
CHD![]() | CHOLIC ACID | A,B,C,D | 2HRE | 0.73 | ![]() |
CHD![]() | CHOLIC ACID | A,B | 2QD5 | 0.73 | ![]() |
CHD![]() | CHOLIC ACID | A,B | 3EM0 | 0.73 | ![]() |
CHD![]() | CHOLIC ACID | A,B,C,D,F,G, I,J,L,M,N,O, P,Q,S,T,V,W,Z | 2EIL | 0.73 | ![]() |
CHD![]() | CHOLIC ACID | A | 2QO4 | 0.73 | ![]() |
CHD![]() | CHOLIC ACID | A,B,C,E,F,G, I,J,L,M,N,O, P,Q,S,T,V,W, Y,Z | 2EIK | 0.73 | ![]() |
DXC![]() | (3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID | A,B,C,D | 1WB1 | 0.71 | ![]() |
DXC![]() | (3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID | A,B,C,D | 1WB3 | 0.71 | ![]() |
DXC![]() | (3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID | A | 2BJF | 0.71 | ![]() |
DXC![]() | (3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID | A,B,C,D | 1WB2 | 0.71 | ![]() |
DXC![]() | (3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID | A | 1FM4 | 0.71 | ![]() |
DXC![]() | (3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID | A | 2W1B | 0.71 | ![]() |
DXC![]() | (3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID | A,B | 1E3V | 0.71 | ![]() |
DXC![]() | (3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID | A | 1OS6 | 0.71 | ![]() |
DXC![]() | (3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID | A,B,C,D | 3DTU | 0.71 | ![]() |
DXC![]() | (3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID | A | 2OPX | 0.71 | ![]() |
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 | ![]() |
CXT![]() | CARBOXYATRACTYLOSIDE | A | 2C3E | 0.73 | ![]() |
CXT![]() | CARBOXYATRACTYLOSIDE | A | 1OKC | 0.73 | ![]() |
0MA![]() | maslinic acid | A | 2QN2 | 0.73 | ![]() |
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 | ![]() |
GA3![]() | GIBBERELLIN A3 | A | 2ZSH | 0.7 | ![]() |
GA3![]() | GIBBERELLIN A3 | A,B,C,D,E,F | 3ED1 | 0.7 | ![]() |
FOK![]() | FORSKOLIN | A,C | 3C16 | 0.72 | ![]() |
FOK![]() | FORSKOLIN | A,C | 1CJU | 0.72 | ![]() |
FOK![]() | FORSKOLIN | A,C | 1TL7 | 0.72 | ![]() |
FOK![]() | FORSKOLIN | A,B | 1AB8 | 0.72 | ![]() |
FOK![]() | FORSKOLIN | A,C | 3C14 | 0.72 | ![]() |
FOK![]() | FORSKOLIN | A,C | 1CJT | 0.72 | ![]() |
FOK![]() | FORSKOLIN | A,B,C | 1CUL | 0.72 | ![]() |
FOK![]() | FORSKOLIN | A,C | 1CJV | 0.72 | ![]() |
FOK![]() | FORSKOLIN | A,C | 3C15 | 0.72 | ![]() |
FOK![]() | FORSKOLIN | A,C | 1U0H | 0.72 | ![]() |
FOK![]() | FORSKOLIN | A,B,C | 1CS4 | 0.72 | ![]() |
FOK![]() | FORSKOLIN | A,C | 1CJK | 0.72 | ![]() |
FUA![]() | FUSIDIC ACID | A | 1QCA | 0.73 | ![]() |
FUA![]() | FUSIDIC ACID | A,B,C,D,E,F, G,H,I,J,K,L | 1Q23 | 0.73 | ![]() |
FUA![]() | FUSIDIC ACID | A,B | 2VUF | 0.73 | ![]() |
CHC![]() | 6-ETHYL-CHENODEOXYCHOLIC ACID | A,B | 1OT7 | 0.73 | ![]() |
CHC![]() | 6-ETHYL-CHENODEOXYCHOLIC ACID | A,B | 1OSV | 0.73 | ![]() |
SO1![]() | A | 1U2R | 0.71 | ![]() | |
SO1![]() | A | 1N0U | 0.71 | ![]() | |
SO1![]() | T | 2P8Y | 0.71 | ![]() | |
SO1![]() | T | 2P8Z | 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 | ![]() |
MOU![]() | A,B | 2NPF | 0.71 | ![]() | |
S5H![]() | 5-ALPHA-PREGNANE-3-BETA-OL-HEMISUCCINATE | L | 2DBL | 0.71 | ![]() |
0AS![]() | asiatic acid | A | 2QN1 | 0.71 | ![]() |
GA4![]() | GIBBERELLIN A4 | A | 2ZSI | 0.79 | ![]() |
GA4![]() | GIBBERELLIN A4 | A,B,C,D,E,F | 3EBL | 0.79 | ![]() |
GA4![]() | GIBBERELLIN A4 | H,I | 1KFA | 0.79 | ![]() |
SIH![]() | PROGESTERONE-11-ALPHA-OL-HEMISUCCINATE | H | 1DBM | 0.74 | ![]() |
C0R![]() | CORTICOSTERONE | A | 2A3I | 0.7 | ![]() |
C0R![]() | CORTICOSTERONE | A,B | 1Y5R | 0.7 | ![]() |
20E![]() | (2beta,3beta,5beta,22R)-2,3,14,20,22,25- hexahydroxycholest-7-en-6-one | A,D | 2R40 | 0.71 | ![]() |