Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03168085
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 |
CS2 | D-MANNONIC ACID | A,B,C,D | 2QJM | 0.75 |  |
| CS2 | D-MANNONIC ACID | A,B | 3DBN | 0.75 | |
DEB | 6-DEOXYERYTHRONOLIDE B | A | 1Z8P | 0.71 | |
| DEB | 6-DEOXYERYTHRONOLIDE B | A | 1JIO | 0.71 | |
| DEB | 6-DEOXYERYTHRONOLIDE B | A | 1Z8Q | 0.71 | |
| DEB | 6-DEOXYERYTHRONOLIDE B | A | 1OXA | 0.71 | |
| DEB | 6-DEOXYERYTHRONOLIDE B | A | 1Z8O | 0.71 | |
3LR | 3,6-dideoxy-L-arabino-hexonic acid | A,B | 3CXO | 0.73 | |
DQA | 1,3,4-TRIHYDROXY-5-OXO-CYCLOHEXANECARBOXYLIC ACID | A | 1J2Y | 0.81 | |
1N5 | (2R,4S)-2,4,7-trihydroxyheptanoic acid | A,B | 3CXO | 0.82 | |
ICA | ISOCITRATE CALCIUM COMPLEX | A | 1AI2 | 0.76 | |
ICT | ISOCITRIC ACID | A | 1IDE | 0.79 | |
| ICT | ISOCITRIC ACID | A,B | 2UXR | 0.79 | |
| ICT | ISOCITRIC ACID | A,B | 1XKD | 0.79 | |
| ICT | ISOCITRIC ACID | A | 8ICD | 0.79 | |
| ICT | ISOCITRIC ACID | A,B,D | 1XG4 | 0.79 | |
| ICT | ISOCITRIC ACID | A | 1CW7 | 0.79 | |
| ICT | ISOCITRIC ACID | A | 1GRO | 0.79 | |
| ICT | ISOCITRIC ACID | A | 1W8G | 0.79 | |
| ICT | ISOCITRIC ACID | A | 5ICD | 0.79 | |
| ICT | ISOCITRIC ACID | A,B | 1LWD | 0.79 | |
| ICT | ISOCITRIC ACID | A,B,C,D | 1ITW | 0.79 | |
| ICT | ISOCITRIC ACID | A,B,C,D | 1T0L | 0.79 | |
| ICT | ISOCITRIC ACID | A | 1PB1 | 0.79 | |
| ICT | ISOCITRIC ACID | A | 1GRP | 0.79 | |
| ICT | ISOCITRIC ACID | A | 1CW1 | 0.79 | |
| ICT | ISOCITRIC ACID | A,B,C,D,E,F | 2QFW | 0.79 | |
| ICT | ISOCITRIC ACID | A | 1B0J | 0.79 | |
| ICT | ISOCITRIC ACID | A | 1W7F | 0.79 | |
| ICT | ISOCITRIC ACID | A | 7ACN | 0.79 | |
| ICT | ISOCITRIC ACID | A | 1C97 | 0.79 | |
| ICT | ISOCITRIC ACID | A | 1P8F | 0.79 | |
| ICT | ISOCITRIC ACID | A | 2CSG | 0.79 | |
F24 | (3R,5S,7R,12S,13R)-13-FORMYL-12,14- DIHYDROXY-3,5,7-TRIMETHYLTETRADECANOIC ACID | A | 2F9A | 0.76 | |
GCO | GLUCONIC ACID | B,C,D | 1BGG | 0.75 | |
| GCO | GLUCONIC ACID | A,B | 1XLF | 0.75 | |
GKR | D-GLUCARATE | A | 3CXT | 0.73 | |
| GKR | D-GLUCARATE | A,B | 1JCT | 0.73 | |
GVM | (3R)-3-HYDROXY-5,5-DIMETHYLHEXANOIC ACID | A,B | 2UW1 | 0.71 | |
B3H | (2S)-2-(BUTYRYLOXY)-3-HYDROXYPROPYL NONANOATE | C,D | 2HFE | 0.7 | |
| B3H | (2S)-2-(BUTYRYLOXY)-3-HYDROXYPROPYL NONANOATE | C,D | 2H8P | 0.7 | |
| B3H | (2S)-2-(BUTYRYLOXY)-3-HYDROXYPROPYL NONANOATE | C,D | 2HG5 | 0.7 | |
DXG | 4-DEOXYGLUCARATE | A,B,C,D | 1ECQ | 0.75 | |
HXD | (3R)-3-HYDROXYDODECANOIC ACID | A | 2DDH | 0.74 | |
1LU | 4-METHYL-PENTANOIC ACID-2-OXYL GROUP | E,I | 6TMN | 0.73 | |
| 1LU | 4-METHYL-PENTANOIC ACID-2-OXYL GROUP | I | 1DS2 | 0.73 | |
FTT | 3-HYDROXY-TETRADECANOIC ACID | A | 1QFF | 0.74 | |
| FTT | 3-HYDROXY-TETRADECANOIC ACID | A | 1QJQ | 0.74 | |
| FTT | 3-HYDROXY-TETRADECANOIC ACID | A,B | 2GRX | 0.74 | |
| FTT | 3-HYDROXY-TETRADECANOIC ACID | A | 1QFG | 0.74 | |
| FTT | 3-HYDROXY-TETRADECANOIC ACID | A | 1QKC | 0.74 | |
| FTT | 3-HYDROXY-TETRADECANOIC ACID | A | 1FI1 | 0.74 | |
| FTT | 3-HYDROXY-TETRADECANOIC ACID | A,B,C,D | 3FXI | 0.74 | |
DMV | 2,3-DIHYDROXY-VALERIANIC ACID | A,B,C,D | 1QMG | 0.77 | |
HCA | 3-HYDROXY-3-CARBOXY-ADIPIC ACID | A,B,C,D,E,F, G,H | 1M1N | 0.76 | |
| HCA | 3-HYDROXY-3-CARBOXY-ADIPIC ACID | A,B,C,D,E,G, I,J,K,L,N,P | 1M1Y | 0.76 | |
| HCA | 3-HYDROXY-3-CARBOXY-ADIPIC ACID | A,B,C,D,E,F, G,H | 1G21 | 0.76 | |
| HCA | 3-HYDROXY-3-CARBOXY-ADIPIC ACID | A,B,C,D | 1QGU | 0.76 | |
| HCA | 3-HYDROXY-3-CARBOXY-ADIPIC ACID | B,D | 1MIO | 0.76 | |
| HCA | 3-HYDROXY-3-CARBOXY-ADIPIC ACID | A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P | 2AFI | 0.76 | |
| HCA | 3-HYDROXY-3-CARBOXY-ADIPIC ACID | A,B,C,D | 1QH8 | 0.76 | |
| HCA | 3-HYDROXY-3-CARBOXY-ADIPIC ACID | A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P | 1M34 | 0.76 | |
| HCA | 3-HYDROXY-3-CARBOXY-ADIPIC ACID | A,B,C,D | 1FP4 | 0.76 | |
| HCA | 3-HYDROXY-3-CARBOXY-ADIPIC ACID | A,B,C | 2MIN | 0.76 | |
| HCA | 3-HYDROXY-3-CARBOXY-ADIPIC ACID | A,B,C,D,E,G | 1G20 | 0.76 | |
| HCA | 3-HYDROXY-3-CARBOXY-ADIPIC ACID | A,B,C,D,E,F, G,H | 1N2C | 0.76 | |
| HCA | 3-HYDROXY-3-CARBOXY-ADIPIC ACID | A,B,C,D,E,F, G,H | 2AFK | 0.76 | |
| HCA | 3-HYDROXY-3-CARBOXY-ADIPIC ACID | A,B,C,D | 1QH1 | 0.76 | |
| HCA | 3-HYDROXY-3-CARBOXY-ADIPIC ACID | A,B,C,D | 3MIN | 0.76 | |
| HCA | 3-HYDROXY-3-CARBOXY-ADIPIC ACID | A,B,C,D,E | 2AFH | 0.76 | |
CRB | [1R-(1ALPHA,3BETA,4ALPHA,5BETA)]- 5-(PHOSPHONOMETHYL)-1,3,4-TRIHYDROXYCYCLOHEXANE- 1-CARBOXYLIC ACID | A,B | 1XAI | 0.71 | |
| CRB | [1R-(1ALPHA,3BETA,4ALPHA,5BETA)]- 5-(PHOSPHONOMETHYL)-1,3,4-TRIHYDROXYCYCLOHEXANE- 1-CARBOXYLIC ACID | A,B | 1NVD | 0.71 | |
| CRB | [1R-(1ALPHA,3BETA,4ALPHA,5BETA)]- 5-(PHOSPHONOMETHYL)-1,3,4-TRIHYDROXYCYCLOHEXANE- 1-CARBOXYLIC ACID | A | 1XAG | 0.71 | |
| CRB | [1R-(1ALPHA,3BETA,4ALPHA,5BETA)]- 5-(PHOSPHONOMETHYL)-1,3,4-TRIHYDROXYCYCLOHEXANE- 1-CARBOXYLIC ACID | A,B | 1NR5 | 0.71 | |
| CRB | [1R-(1ALPHA,3BETA,4ALPHA,5BETA)]- 5-(PHOSPHONOMETHYL)-1,3,4-TRIHYDROXYCYCLOHEXANE- 1-CARBOXYLIC ACID | A,B | 1XAJ | 0.71 | |
| CRB | [1R-(1ALPHA,3BETA,4ALPHA,5BETA)]- 5-(PHOSPHONOMETHYL)-1,3,4-TRIHYDROXYCYCLOHEXANE- 1-CARBOXYLIC ACID | A,B | 1XAL | 0.71 | |
| CRB | [1R-(1ALPHA,3BETA,4ALPHA,5BETA)]- 5-(PHOSPHONOMETHYL)-1,3,4-TRIHYDROXYCYCLOHEXANE- 1-CARBOXYLIC ACID | A,B | 1DQS | 0.71 | |
| CRB | [1R-(1ALPHA,3BETA,4ALPHA,5BETA)]- 5-(PHOSPHONOMETHYL)-1,3,4-TRIHYDROXYCYCLOHEXANE- 1-CARBOXYLIC ACID | A,B | 1NVB | 0.71 | |
| CRB | [1R-(1ALPHA,3BETA,4ALPHA,5BETA)]- 5-(PHOSPHONOMETHYL)-1,3,4-TRIHYDROXYCYCLOHEXANE- 1-CARBOXYLIC ACID | A,B,C | 1NVF | 0.71 | |
HOC | (2S)-2-HYDROXYOCTANOIC ACID | A | 2A85 | 0.75 | |