Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02423239
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 |
IPM | 3-ISOPROPYLMALIC ACID | A,B | 1A05 | 0.71 | |
IPM | 3-ISOPROPYLMALIC ACID | A | 1HJ6 | 0.71 | |
RB3 | (1R)-3-{[(1R)-3-METHOXY-1-METHYL- 3-OXOPROPYL]OXY}-1-METHYL-3-OXOPROPYL (3R)- 3-HYDROXYBUTANOATE | A | 2D81 | 0.8 | |
HXD | (3R)-3-HYDROXYDODECANOIC ACID | A | 2DDH | 0.8 | |
3HL | (3S)-3-HYDROXYBUTANOIC ACID | A | 2ECQ | 0.91 | |
3HL | (3S)-3-HYDROXYBUTANOIC ACID | A,B,C,D | 3EEW | 0.91 | |
AAE | ACETOACETIC ACID | A,B,C,D | 3EEW | 0.7 | |
AAE | ACETOACETIC ACID | A | 1FCP | 0.7 | |
AAE | ACETOACETIC ACID | A | 1UJW | 0.7 | |
AAE | ACETOACETIC ACID | A,B | 1QCO | 0.7 | |
AAE | ACETOACETIC ACID | A,B,C,D,L | 1E3W | 0.7 | |
AAE | ACETOACETIC ACID | A,B | 1YSL | 0.7 | |
AAE | ACETOACETIC ACID | A | 2FCP | 0.7 | |
FTT | 3-HYDROXY-TETRADECANOIC ACID | A | 1QFF | 0.8 | |
FTT | 3-HYDROXY-TETRADECANOIC ACID | A | 1QJQ | 0.8 | |
FTT | 3-HYDROXY-TETRADECANOIC ACID | A,B | 2GRX | 0.8 | |
FTT | 3-HYDROXY-TETRADECANOIC ACID | A | 1QFG | 0.8 | |
FTT | 3-HYDROXY-TETRADECANOIC ACID | A | 1QKC | 0.8 | |
FTT | 3-HYDROXY-TETRADECANOIC ACID | A | 1FI1 | 0.8 | |
FTT | 3-HYDROXY-TETRADECANOIC ACID | A,B,C,D | 3FXI | 0.8 | |
DMV | 2,3-DIHYDROXY-VALERIANIC ACID | A,B,C,D | 1QMG | 0.8 | |
6NA | HEXANOIC ACID | A,B | 2IX4 | 0.71 | |
6NA | HEXANOIC ACID | A,B | 2IWZ | 0.71 | |
6NA | HEXANOIC ACID | A | 2IQ0 | 0.71 | |
BUQ | 4-HYDROXY-2-BUTANONE | A,B | 1D7J | 0.72 | |
LEA | LEVULINIC ACID | P | 1VWR | 0.77 | |
LEA | LEVULINIC ACID | M,P | 1VWJ | 0.77 | |
LEA | LEVULINIC ACID | A,B | 1W1Z | 0.77 | |
LEA | LEVULINIC ACID | A,B | 1B4K | 0.77 | |
LEA | LEVULINIC ACID | M,P | 1VWK | 0.77 | |
LEA | LEVULINIC ACID | P | 1VWQ | 0.77 | |
LEA | LEVULINIC ACID | A | 1UK8 | 0.77 | |
LEA | LEVULINIC ACID | M,P | 1VWL | 0.77 | |
LEA | LEVULINIC ACID | M,P | 1VWI | 0.77 | |
LEA | LEVULINIC ACID | A | 1B4E | 0.77 | |
GVM | (3R)-3-HYDROXY-5,5-DIMETHYLHEXANOIC ACID | A,B | 2UW1 | 0.76 | |
3PB | (3R)-3-(phosphonooxy)butanoic acid | A,B,C,D,E,F | 3FG8 | 0.74 | |
MAH | 3-HYDROXY-3-METHYL-GLUTARIC ACID | A,B,C,D | 1DQA | 0.72 | |
MAH | 3-HYDROXY-3-METHYL-GLUTARIC ACID | A,B,C,D | 1DQ8 | 0.72 | |
1LU | 4-METHYL-PENTANOIC ACID-2-OXYL GROUP | E,I | 6TMN | 0.74 | |
1LU | 4-METHYL-PENTANOIC ACID-2-OXYL GROUP | I | 1DS2 | 0.74 | |
LFC | 6-DEOXY-L-GALACTONIC ACID | A | 2HXU | 0.71 | |
3HG | 3-HYDROXYPENTANEDIOIC ACID | A,B,C,D,E,F | 2CW6 | 0.87 | |
3OH | 3-HYDROXY-PROPANOIC ACID | A | 1M33 | 0.71 | |
LML | ISOBUTYL MALONIC ACID | A | 1BFW | 0.73 | |
MEV | (R)-MEVALONATE | A,B | 1QAY | 0.81 | |
MEV | (R)-MEVALONATE | A | 2HFU | 0.81 | |
MEV | (R)-MEVALONATE | A,B | 1R31 | 0.81 | |
HIU | (2R)-3-HYDROXY-2-METHYLPROPANOIC ACID | A | 3BPT | 0.76 |