Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03246426
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 |
GVM | (3R)-3-HYDROXY-5,5-DIMETHYLHEXANOIC ACID | A,B | 2UW1 | 0.82 |  |
JN3 | CHENODEOXYCHOLIC ACID | A | 2JN3 | 0.75 | |
CHD | CHOLIC ACID | A,B | 2PNJ | 0.75 | |
| CHD | CHOLIC ACID | A,B | 1HRK | 0.75 | |
| CHD | CHOLIC ACID | A,B | 2PO7 | 0.75 | |
| CHD | CHOLIC ACID | A | 2QO6 | 0.75 | |
| CHD | CHOLIC ACID | A,B,C,E,F,G, I,J,M,N,O,P, Q,S,T,V,W,Z | 1V55 | 0.75 | |
| CHD | CHOLIC ACID | A | 2AZY | 0.75 | |
| CHD | CHOLIC ACID | A,B,C | 2DQY | 0.75 | |
| CHD | CHOLIC ACID | A,B,C,D,F,G, I,J,L,M,N,O, P,S,T,V,W,Y,Z | 2EIN | 0.75 | |
| CHD | CHOLIC ACID | A,B,C,F,G,I, J,L,M,N,O,P, S,T,V,W,Z | 2EIJ | 0.75 | |
| CHD | CHOLIC ACID | A,B,C,D | 2QD1 | 0.75 | |
| CHD | CHOLIC ACID | A | 2FT9 | 0.75 | |
| CHD | CHOLIC ACID | A,B | 2HRC | 0.75 | |
| CHD | CHOLIC ACID | A,B | 1TW4 | 0.75 | |
| CHD | CHOLIC ACID | A,B | 2QD3 | 0.75 | |
| CHD | CHOLIC ACID | A,B,C,D,E,F, G,I,J,L,M,N, O,P,Q,S,T,V, W,Z | 1V54 | 0.75 | |
| CHD | CHOLIC ACID | A | 2RLC | 0.75 | |
| CHD | CHOLIC ACID | A,B | 1ON5 | 0.75 | |
| CHD | CHOLIC ACID | A,B,C,D,F,G, J,L,M,N,O,P, S,T,W,Z | 2ZXW | 0.75 | |
| CHD | CHOLIC ACID | A,B | 2QD4 | 0.75 | |
| CHD | CHOLIC ACID | A | 2QO5 | 0.75 | |
| CHD | CHOLIC ACID | A,B,C,D,F,G, I,J,L,M,N,O, P,S,T,V,W,Z | 2DYS | 0.75 | |
| CHD | CHOLIC ACID | A,B | 2QD2 | 0.75 | |
| CHD | CHOLIC ACID | A,B,C | 3ELZ | 0.75 | |
| CHD | CHOLIC ACID | A,B | 2PO5 | 0.75 | |
| CHD | CHOLIC ACID | A,B | 1S9Q | 0.75 | |
| CHD | CHOLIC ACID | A,B | 1EE2 | 0.75 | |
| CHD | CHOLIC ACID | A,B,C,D,F,G, I,J,L,M,N,O, P,Q,S,T,V,W,Z | 2DYR | 0.75 | |
| CHD | CHOLIC ACID | A,B,C,D,F,G, I,J,L,M,N,O, P,S,T,V,W,Z | 2EIM | 0.75 | |
| CHD | CHOLIC ACID | A,B,C,D | 2HRE | 0.75 | |
| CHD | CHOLIC ACID | A,B | 2QD5 | 0.75 | |
| CHD | CHOLIC ACID | A,B | 3EM0 | 0.75 | |
| CHD | CHOLIC ACID | A,B,C,D,F,G, I,J,L,M,N,O, P,Q,S,T,V,W,Z | 2EIL | 0.75 | |
| CHD | CHOLIC ACID | A | 2QO4 | 0.75 | |
| CHD | CHOLIC ACID | A,B,C,E,F,G, I,J,L,M,N,O, P,Q,S,T,V,W, Y,Z | 2EIK | 0.75 | |
IU5 | ISO-URSODEOXYCHOLIC ACID | A,B | 1IHI | 0.75 | |
| IU5 | ISO-URSODEOXYCHOLIC ACID | A,B | 1OT7 | 0.75 | |
DHT | 5-ALPHA-DIHYDROTESTOSTERONE | L | 2PIP | 0.74 | |
| DHT | 5-ALPHA-DIHYDROTESTOSTERONE | A | 1T7M | 0.74 | |
| DHT | 5-ALPHA-DIHYDROTESTOSTERONE | A | 1I38 | 0.74 | |
| DHT | 5-ALPHA-DIHYDROTESTOSTERONE | A | 1T74 | 0.74 | |
| DHT | 5-ALPHA-DIHYDROTESTOSTERONE | A | 1T7R | 0.74 | |
| DHT | 5-ALPHA-DIHYDROTESTOSTERONE | A | 2PKL | 0.74 | |
| DHT | 5-ALPHA-DIHYDROTESTOSTERONE | A | 1T63 | 0.74 | |
| DHT | 5-ALPHA-DIHYDROTESTOSTERONE | A | 1KDK | 0.74 | |
| DHT | 5-ALPHA-DIHYDROTESTOSTERONE | A | 1DHT | 0.74 | |
| DHT | 5-ALPHA-DIHYDROTESTOSTERONE | A | 2PIR | 0.74 | |
| DHT | 5-ALPHA-DIHYDROTESTOSTERONE | A | 1T76 | 0.74 | |
| DHT | 5-ALPHA-DIHYDROTESTOSTERONE | A | 2Z4J | 0.74 | |
| DHT | 5-ALPHA-DIHYDROTESTOSTERONE | A | 1T79 | 0.74 | |
| DHT | 5-ALPHA-DIHYDROTESTOSTERONE | A | 2PIO | 0.74 | |
| DHT | 5-ALPHA-DIHYDROTESTOSTERONE | A | 2PIV | 0.74 | |
| DHT | 5-ALPHA-DIHYDROTESTOSTERONE | A | 2QPY | 0.74 | |
| DHT | 5-ALPHA-DIHYDROTESTOSTERONE | A | 2AMA | 0.74 | |
| DHT | 5-ALPHA-DIHYDROTESTOSTERONE | A | 1T65 | 0.74 | |
| DHT | 5-ALPHA-DIHYDROTESTOSTERONE | A | 2PIX | 0.74 | |
| DHT | 5-ALPHA-DIHYDROTESTOSTERONE | A | 1KDM | 0.74 | |
| DHT | 5-ALPHA-DIHYDROTESTOSTERONE | A | 1T7T | 0.74 | |
| DHT | 5-ALPHA-DIHYDROTESTOSTERONE | A | 1T5Z | 0.74 | |
| DHT | 5-ALPHA-DIHYDROTESTOSTERONE | A | 2PIQ | 0.74 | |
| DHT | 5-ALPHA-DIHYDROTESTOSTERONE | A | 2PIT | 0.74 | |
| DHT | 5-ALPHA-DIHYDROTESTOSTERONE | A | 2PIU | 0.74 | |
| DHT | 5-ALPHA-DIHYDROTESTOSTERONE | A | 2PIW | 0.74 | |
| DHT | 5-ALPHA-DIHYDROTESTOSTERONE | A | 1I37 | 0.74 | |
| DHT | 5-ALPHA-DIHYDROTESTOSTERONE | A | 1XJ7 | 0.74 | |
| DHT | 5-ALPHA-DIHYDROTESTOSTERONE | A | 1D2S | 0.74 | |
| DHT | 5-ALPHA-DIHYDROTESTOSTERONE | A | 1F5F | 0.74 | |
| DHT | 5-ALPHA-DIHYDROTESTOSTERONE | A | 1T73 | 0.74 | |
| DHT | 5-ALPHA-DIHYDROTESTOSTERONE | A | 1T7F | 0.74 | |
CHC | 6-ETHYL-CHENODEOXYCHOLIC ACID | A,B | 1OT7 | 0.75 | |
| CHC | 6-ETHYL-CHENODEOXYCHOLIC ACID | A,B | 1OSV | 0.75 | |
FTT | 3-HYDROXY-TETRADECANOIC ACID | A | 1QFF | 0.79 | |
| FTT | 3-HYDROXY-TETRADECANOIC ACID | A | 1QJQ | 0.79 | |
| FTT | 3-HYDROXY-TETRADECANOIC ACID | A,B | 2GRX | 0.79 | |
| FTT | 3-HYDROXY-TETRADECANOIC ACID | A | 1QFG | 0.79 | |
| FTT | 3-HYDROXY-TETRADECANOIC ACID | A | 1QKC | 0.79 | |
| FTT | 3-HYDROXY-TETRADECANOIC ACID | A | 1FI1 | 0.79 | |
| FTT | 3-HYDROXY-TETRADECANOIC ACID | A,B,C,D | 3FXI | 0.79 | |
CHS | 4-AMINO-5-CYCLOHEXYL-3-HYDROXY- PENTANOIC ACID | I | 1E80 | 0.71 | |
| CHS | 4-AMINO-5-CYCLOHEXYL-3-HYDROXY- PENTANOIC ACID | I | 1EED | 0.71 | |
| CHS | 4-AMINO-5-CYCLOHEXYL-3-HYDROXY- PENTANOIC ACID | I | 2ER0 | 0.71 | |
HXD | (3R)-3-HYDROXYDODECANOIC ACID | A | 2DDH | 0.79 | |
CAX | (2S,4S)-4-(2,2-DIHYDROXYETHYL)- 2,3,3-TRIMETHYLCYCLOPENTANONE | A,B,C,D,E,F, G,H,I,J,K,L | 1SZO | 0.76 | |
LIL | 2-TRIDECANOYLOXY-PENTADECANOIC ACID | A | 2FCP | 0.7 | |
| LIL | 2-TRIDECANOYLOXY-PENTADECANOIC ACID | A | 1FCP | 0.7 | |
TWN | (3S)-3-[(2S,3S,4R)-3,4-DIMETHYLTETRAHYDROFURAN- 2-YL]BUTYL LAURATE | A,B | 2IVD | 0.71 | |
| TWN | (3S)-3-[(2S,3S,4R)-3,4-DIMETHYLTETRAHYDROFURAN- 2-YL]BUTYL LAURATE | A,B | 2IVE | 0.71 | |
KTA | (S)-CYCLOHEXANONE-2-ACETATE | A,B | 2J5S | 0.7 | |
CXP | CYCLOHEXANE PROPIONIC ACID | A,B | 2AY2 | 0.75 | |
LNG | 12-METHYLTRIDECANOIC ACID | A,B,C,D,E,F, G,H,I,J,K,L | 1W3M | 0.73 | |
F24 | (3R,5S,7R,12S,13R)-13-FORMYL-12,14- DIHYDROXY-3,5,7-TRIMETHYLTETRADECANOIC ACID | A | 2F9A | 0.84 | |
BDT | 5-beta-DIHYDROTESTOSTERONE | A,B | 3DOP | 0.74 | |
CAH | 5-EXO-HYDROXYCAMPHOR | A | 1NOO | 0.78 | |
DEB | 6-DEOXYERYTHRONOLIDE B | A | 1Z8P | 0.75 | |
| DEB | 6-DEOXYERYTHRONOLIDE B | A | 1JIO | 0.75 | |
| DEB | 6-DEOXYERYTHRONOLIDE B | A | 1Z8Q | 0.75 | |
| DEB | 6-DEOXYERYTHRONOLIDE B | A | 1OXA | 0.75 | |
| DEB | 6-DEOXYERYTHRONOLIDE B | A | 1Z8O | 0.75 | |
AE2 | AETIOCHOLANOLONE | A | 2QP4 | 0.74 | |
| AE2 | AETIOCHOLANOLONE | A,B | 1YB1 | 0.74 | |
| AE2 | AETIOCHOLANOLONE | A | 2QP3 | 0.74 | |
| AE2 | AETIOCHOLANOLONE | A,B | 1X8J | 0.74 | |
| AE2 | AETIOCHOLANOLONE | A,B,C,D | 1NFQ | 0.74 | |
| AE2 | AETIOCHOLANOLONE | H | 1DBJ | 0.74 | |
| AE2 | AETIOCHOLANOLONE | A | 1OV4 | 0.74 | |
DXC | (3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID | A,B,C,D | 1WB1 | 0.77 | |
| DXC | (3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID | A,B,C,D | 1WB3 | 0.77 | |
| DXC | (3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID | A | 2BJF | 0.77 | |
| DXC | (3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID | A,B,C,D | 1WB2 | 0.77 | |
| DXC | (3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID | A | 1FM4 | 0.77 | |
| DXC | (3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID | A | 2W1B | 0.77 | |
| DXC | (3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID | A,B | 1E3V | 0.77 | |
| DXC | (3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID | A | 1OS6 | 0.77 | |
| DXC | (3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID | A,B,C,D | 3DTU | 0.77 | |
| DXC | (3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID | A | 2OPX | 0.77 | |