Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01874787
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 |
FA3 | 2-ANHYDRO-3-FLUORO-QUINIC ACID | A,B,C,D,E,F, G,H,I,J,K,L | 1V1J | 0.82 |  |
GG9 | (3R,4S,5R)-5-[(1R)-1-CARBOXY-2,2- DIFLUORO-1-(PHOSPHONOOXY)ETHOXY]- 4-HYDROXY-3-(PHOSPHONOOXY)CYCLOHEX- 1-ENE-1-CARBOXYLIC ACID | A | 2PQB | 0.77 | |
| GG9 | (3R,4S,5R)-5-[(1R)-1-CARBOXY-2,2- DIFLUORO-1-(PHOSPHONOOXY)ETHOXY]- 4-HYDROXY-3-(PHOSPHONOOXY)CYCLOHEX- 1-ENE-1-CARBOXYLIC ACID | A | 2PQD | 0.77 | |
| GG9 | (3R,4S,5R)-5-[(1R)-1-CARBOXY-2,2- DIFLUORO-1-(PHOSPHONOOXY)ETHOXY]- 4-HYDROXY-3-(PHOSPHONOOXY)CYCLOHEX- 1-ENE-1-CARBOXYLIC ACID | A | 2PQ9 | 0.77 | |
SPQ | (3R,4S,5R)-5-{[(1R)-1-CARBOXY-2- FLUORO-1-(PHOSPHONOOXY)ETHYL]OXY}- 4-HYDROXY-3-(PHOSPHONOOXY)CYCLOHEX- 1-ENE-1-CARBOXYLIC ACID | A,B,C,D | 1RF4 | 0.78 | |
DHK | 3-DEHYDROSHIKIMATE | A | 1WE2 | 0.84 | |
| DHK | 3-DEHYDROSHIKIMATE | A,B | 1SFJ | 0.84 | |
| DHK | 3-DEHYDROSHIKIMATE | A,B,C,D,E,F, G,H,I,J,K,L | 1GTZ | 0.84 | |
| DHK | 3-DEHYDROSHIKIMATE | A | 2O7Q | 0.84 | |
| DHK | 3-DEHYDROSHIKIMATE | A | 2O7S | 0.84 | |
HMC | 5-HYDROXYMETHYL-CHONDURITOL | A | 1MFV | 0.77 | |
| HMC | 5-HYDROXYMETHYL-CHONDURITOL | A | 1NM9 | 0.77 | |
| HMC | 5-HYDROXYMETHYL-CHONDURITOL | A | 1CPU | 0.77 | |
| HMC | 5-HYDROXYMETHYL-CHONDURITOL | A | 1MFU | 0.77 | |
| HMC | 5-HYDROXYMETHYL-CHONDURITOL | A | 1PIG | 0.77 | |
| HMC | 5-HYDROXYMETHYL-CHONDURITOL | X | 1Z32 | 0.77 | |
| HMC | 5-HYDROXYMETHYL-CHONDURITOL | X | 3BLP | 0.77 | |
| HMC | 5-HYDROXYMETHYL-CHONDURITOL | A | 3BLK | 0.77 | |
| HMC | 5-HYDROXYMETHYL-CHONDURITOL | A | 3DHP | 0.77 | |
TSA | 8-HYDROXY-2-OXA-BICYCLO[3.3.1]NON- 6-ENE-3,5-DICARBOXYLIC ACID | A,B | 1ECM | 0.73 | |
| TSA | 8-HYDROXY-2-OXA-BICYCLO[3.3.1]NON- 6-ENE-3,5-DICARBOXYLIC ACID | A,B,C,D,E,F, G,H,I,J,K,L | 2CHT | 0.73 | |
| TSA | 8-HYDROXY-2-OXA-BICYCLO[3.3.1]NON- 6-ENE-3,5-DICARBOXYLIC ACID | X | 2GTV | 0.73 | |
| TSA | 8-HYDROXY-2-OXA-BICYCLO[3.3.1]NON- 6-ENE-3,5-DICARBOXYLIC ACID | H | 1FIG | 0.73 | |
| TSA | 8-HYDROXY-2-OXA-BICYCLO[3.3.1]NON- 6-ENE-3,5-DICARBOXYLIC ACID | A,B | 4CSM | 0.73 | |
| TSA | 8-HYDROXY-2-OXA-BICYCLO[3.3.1]NON- 6-ENE-3,5-DICARBOXYLIC ACID | A,B | 3CSM | 0.73 | |
| TSA | 8-HYDROXY-2-OXA-BICYCLO[3.3.1]NON- 6-ENE-3,5-DICARBOXYLIC ACID | B | 2FP2 | 0.73 | |
164 | 2-(3-CARBOXYPROPIONYL)-6-HYDROXY- CYCLOHEXA-2,4-DIENE CARBOXYLIC ACID | A | 1R6W | 0.75 | |
S3P | SHIKIMATE-3-PHOSPHATE | A | 2O0D | 0.91 | |
| S3P | SHIKIMATE-3-PHOSPHATE | A | 2GGD | 0.91 | |
| S3P | SHIKIMATE-3-PHOSPHATE | A | 2IYY | 0.91 | |
| S3P | SHIKIMATE-3-PHOSPHATE | A | 2IYZ | 0.91 | |
| S3P | SHIKIMATE-3-PHOSPHATE | A | 2O0E | 0.91 | |
| S3P | SHIKIMATE-3-PHOSPHATE | A | 2QFQ | 0.91 | |
| S3P | SHIKIMATE-3-PHOSPHATE | A | 1G6T | 0.91 | |
| S3P | SHIKIMATE-3-PHOSPHATE | A | 1MI4 | 0.91 | |
| S3P | SHIKIMATE-3-PHOSPHATE | A | 3FK1 | 0.91 | |
| S3P | SHIKIMATE-3-PHOSPHATE | A | 2QFT | 0.91 | |
| S3P | SHIKIMATE-3-PHOSPHATE | A | 2QFU | 0.91 | |
| S3P | SHIKIMATE-3-PHOSPHATE | A | 2GG6 | 0.91 | |
| S3P | SHIKIMATE-3-PHOSPHATE | A | 2GGA | 0.91 | |
| S3P | SHIKIMATE-3-PHOSPHATE | A | 1G6S | 0.91 | |
| S3P | SHIKIMATE-3-PHOSPHATE | A | 3FK0 | 0.91 | |
| S3P | SHIKIMATE-3-PHOSPHATE | A | 3FJZ | 0.91 | |
| S3P | SHIKIMATE-3-PHOSPHATE | A | 2O0B | 0.91 | |
| S3P | SHIKIMATE-3-PHOSPHATE | A | 2QFS | 0.91 | |
| S3P | SHIKIMATE-3-PHOSPHATE | A,B,C,D | 1RF6 | 0.91 | |
| S3P | SHIKIMATE-3-PHOSPHATE | A | 3FJX | 0.91 | |
SKP | 5-(1-CARBOXY-1-PHOSPHONOOXY-ETHOXYL)- 4-HYDROXY-3-PHOSPHONOOXY-CYCLOHEX- 1-ENECARBOXYLIC ACID | A | 2O0X | 0.78 | |
| SKP | 5-(1-CARBOXY-1-PHOSPHONOOXY-ETHOXYL)- 4-HYDROXY-3-PHOSPHONOOXY-CYCLOHEX- 1-ENECARBOXYLIC ACID | A | 1Q36 | 0.78 | |
MRC | MUPIROCIN | A | 1JZS | 0.7 | |
| MRC | MUPIROCIN | A,T | 1FFY | 0.7 | |
| MRC | MUPIROCIN | A | 1QU3 | 0.7 | |
| MRC | MUPIROCIN | A,T | 1QU2 | 0.7 | |
EPS | 5-[(1-CARBOXYVINYL)OXY]-4-HYDROXY- 3-(PHOSPHONOOXY)CYCLOHEX-1-ENE- 1-CARBOXYLIC ACID | A | 2O0Z | 0.82 | |
| EPS | 5-[(1-CARBOXYVINYL)OXY]-4-HYDROXY- 3-(PHOSPHONOOXY)CYCLOHEX-1-ENE- 1-CARBOXYLIC ACID | A,B,C,D | 1QXO | 0.82 | |
FA1 | 2,3 -ANHYDRO-QUINIC ACID | A | 1H0R | 0.83 | |
| FA1 | 2,3 -ANHYDRO-QUINIC ACID | A,B,C,D,E,F, G,H,I,J,K,L | 1GU1 | 0.83 | |
| FA1 | 2,3 -ANHYDRO-QUINIC ACID | A,B,C,D,E,F, G,H,I,J,K,L | 2C57 | 0.83 | |
TSO | (1R,3S,5S,8R)-8-HYDROXY-2-OXABICYCLO[3.3.1]NON- 6-ENE-3,5-DICARBOXYLIC ACID | A,B,C,D | 2W1A | 0.73 | |
DHS | 3-AMINO-4,5-DIHYDROXY-CYCLOHEX- 1-ENECARBOXYLATE | A,B,C,D | 1L9W | 0.79 | |
| DHS | 3-AMINO-4,5-DIHYDROXY-CYCLOHEX- 1-ENECARBOXYLATE | A,B | 1QFE | 0.79 | |
SC1 | [3R-[3A,4A,5B(S*)]]-5-(1-CARBOXY- 1-PHOSPHONOETHOXY)-4-HYDROXY-3- (PHOSPHONOOXY)-1-CYCLOHEXENE-1- CARBOXYLIC ACID | A | 1X8R | 0.79 | |
SKM | (3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX- 1-ENE-1-CARBOXYLIC ACID | A,B | 2IYR | 1 | |
| SKM | (3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX- 1-ENE-1-CARBOXYLIC ACID | A | 3BAF | 1 | |
| SKM | (3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX- 1-ENE-1-CARBOXYLIC ACID | A | 3DOO | 1 | |
| SKM | (3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX- 1-ENE-1-CARBOXYLIC ACID | A | 1U8A | 1 | |
| SKM | (3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX- 1-ENE-1-CARBOXYLIC ACID | A | 1ZUI | 1 | |
| SKM | (3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX- 1-ENE-1-CARBOXYLIC ACID | A,B | 2EV9 | 1 | |
| SKM | (3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX- 1-ENE-1-CARBOXYLIC ACID | A,B,C,D | 2HK9 | 1 | |
| SKM | (3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX- 1-ENE-1-CARBOXYLIC ACID | A,B | 2D5C | 1 | |
| SKM | (3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX- 1-ENE-1-CARBOXYLIC ACID | A | 2IYQ | 1 | |
| SKM | (3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX- 1-ENE-1-CARBOXYLIC ACID | A | 2AA9 | 1 | |
| SKM | (3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX- 1-ENE-1-CARBOXYLIC ACID | A | 1ZYU | 1 | |
| SKM | (3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX- 1-ENE-1-CARBOXYLIC ACID | A | 2GPT | 1 | |
| SKM | (3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX- 1-ENE-1-CARBOXYLIC ACID | A | 2G1K | 1 | |
| SKM | (3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX- 1-ENE-1-CARBOXYLIC ACID | A | 2AAY | 1 | |
| SKM | (3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX- 1-ENE-1-CARBOXYLIC ACID | A | 2IYX | 1 | |
| SKM | (3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX- 1-ENE-1-CARBOXYLIC ACID | A | 2DFN | 1 | |
| SKM | (3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX- 1-ENE-1-CARBOXYLIC ACID | A | 2IYS | 1 | |
RC1 | [3R-[3A,4A,5B(R*)]]-5-(1-CARBOXY- 1-PHOSPHONOETHOXY)-4-HYDROXY-3- (PHOSPHONOOXY)-1-CYCLOHEXENE-1- CARBOXYLIC ACID | A | 2PQC | 0.79 | |
| RC1 | [3R-[3A,4A,5B(R*)]]-5-(1-CARBOXY- 1-PHOSPHONOETHOXY)-4-HYDROXY-3- (PHOSPHONOOXY)-1-CYCLOHEXENE-1- CARBOXYLIC ACID | A | 1X8T | 0.79 | |