Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01727794
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 |
3PA | 3-CYCLOPENTYL-PROPIONIC ACID | C | 1FAV | 0.76 | |
TRC | TRICARBALLYLIC ACID | A | 6ACN | 0.79 | |
TRC | TRICARBALLYLIC ACID | A,B | 2PW0 | 0.79 | |
TRC | TRICARBALLYLIC ACID | A | 5ACN | 0.79 | |
0PA | cyclopentylacetic acid | A,B | 3DWR | 0.76 | |
KTA | (S)-CYCLOHEXANONE-2-ACETATE | A,B | 2J5S | 0.76 | |
HCT | (2R)-butane-1,2,4-tricarboxylic acid | A,B,C | 3DP8 | 0.88 | |
HCT | (2R)-butane-1,2,4-tricarboxylic acid | A,B,C | 3E3K | 0.88 | |
4MV | 4-METHYL VALERIC ACID | A,B,C | 1I1M | 0.78 | |
4MV | 4-METHYL VALERIC ACID | A,B,C | 2EIY | 0.78 | |
4MV | 4-METHYL VALERIC ACID | A | 2ECO | 0.78 | |
4MV | 4-METHYL VALERIC ACID | A,C,D | 1UMC | 0.78 | |
4MV | 4-METHYL VALERIC ACID | A,B | 2COG | 0.78 | |
MAH | 3-HYDROXY-3-METHYL-GLUTARIC ACID | A,B,C,D | 1DQA | 0.76 | |
MAH | 3-HYDROXY-3-METHYL-GLUTARIC ACID | A,B,C,D | 1DQ8 | 0.76 | |
PAY | OCTANE-1,3,5,7-TETRACARBOXYLIC ACID | A,B | 2V77 | 0.85 | |
4AT | 5-OXOHEXANOIC ACID | A,B | 2EFY | 0.74 | |
GUA | GLUTARIC ACID | A,B | 1JW0 | 0.75 | |
GUA | GLUTARIC ACID | A,B,C,D | 1B4N | 0.75 | |
GUA | GLUTARIC ACID | A | 1AMS | 0.75 | |
GUA | GLUTARIC ACID | A,B | 1XEY | 0.75 | |
GUA | GLUTARIC ACID | A | 1CZC | 0.75 | |
GUA | GLUTARIC ACID | A,B,C | 1IYD | 0.75 | |
2PP | 2-PROPYL-PENTANOIC ACID | P | 1DIT | 0.81 | |
LNG | 12-METHYLTRIDECANOIC ACID | A,B,C,D,E,F, G,H,I,J,K,L | 1W3M | 0.76 | |
6NA | HEXANOIC ACID | A,B | 2IX4 | 0.75 | |
6NA | HEXANOIC ACID | A,B | 2IWZ | 0.75 | |
6NA | HEXANOIC ACID | A | 2IQ0 | 0.75 | |
CCM | 1-METHYL-1-CARBOXY-CYCLOPENTANE | A | 1THL | 0.77 | |
BHX | (2S)-2-{[(S)-(2-carboxyethyl)(hydroxy)phosphoryl]methyl}pentanedioic acid | A | 3BHX | 0.71 | |
LML | ISOBUTYL MALONIC ACID | A | 1BFW | 0.73 | |
COI | 2-OXO-4-METHYLPENTANOIC ACID | A,B | 1QS0 | 0.7 | |
COI | 2-OXO-4-METHYLPENTANOIC ACID | A,C | 1UMD | 0.7 | |
COI | 2-OXO-4-METHYLPENTANOIC ACID | A | 1DXY | 0.7 | |
COI | 2-OXO-4-METHYLPENTANOIC ACID | A,B | 2HDK | 0.7 | |
COI | 2-OXO-4-METHYLPENTANOIC ACID | A | 1HJF | 0.7 | |
CXP | CYCLOHEXANE PROPIONIC ACID | A,B | 2AY2 | 0.74 | |
G88 | (2S)-2-(PHOSPHONOMETHYL)PENTANEDIOIC ACID | A | 2JBJ | 0.72 | |
G88 | (2S)-2-(PHOSPHONOMETHYL)PENTANEDIOIC ACID | A | 2PVW | 0.72 | |
HCA | 3-HYDROXY-3-CARBOXY-ADIPIC ACID | A,B,C,D,E,F, G,H | 1M1N | 0.71 | |
HCA | 3-HYDROXY-3-CARBOXY-ADIPIC ACID | A,B,C,D,E,G, I,J,K,L,N,P | 1M1Y | 0.71 | |
HCA | 3-HYDROXY-3-CARBOXY-ADIPIC ACID | A,B,C,D,E,F, G,H | 1G21 | 0.71 | |
HCA | 3-HYDROXY-3-CARBOXY-ADIPIC ACID | A,B,C,D | 1QGU | 0.71 | |
HCA | 3-HYDROXY-3-CARBOXY-ADIPIC ACID | B,D | 1MIO | 0.71 | |
HCA | 3-HYDROXY-3-CARBOXY-ADIPIC ACID | A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P | 2AFI | 0.71 | |
HCA | 3-HYDROXY-3-CARBOXY-ADIPIC ACID | A,B,C,D | 1QH8 | 0.71 | |
HCA | 3-HYDROXY-3-CARBOXY-ADIPIC ACID | A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P | 1M34 | 0.71 | |
HCA | 3-HYDROXY-3-CARBOXY-ADIPIC ACID | A,B,C,D | 1FP4 | 0.71 | |
HCA | 3-HYDROXY-3-CARBOXY-ADIPIC ACID | A,B,C | 2MIN | 0.71 | |
HCA | 3-HYDROXY-3-CARBOXY-ADIPIC ACID | A,B,C,D,E,G | 1G20 | 0.71 | |
HCA | 3-HYDROXY-3-CARBOXY-ADIPIC ACID | A,B,C,D,E,F, G,H | 1N2C | 0.71 | |
HCA | 3-HYDROXY-3-CARBOXY-ADIPIC ACID | A,B,C,D,E,F, G,H | 2AFK | 0.71 | |
HCA | 3-HYDROXY-3-CARBOXY-ADIPIC ACID | A,B,C,D | 1QH1 | 0.71 | |
HCA | 3-HYDROXY-3-CARBOXY-ADIPIC ACID | A,B,C,D | 3MIN | 0.71 | |
HCA | 3-HYDROXY-3-CARBOXY-ADIPIC ACID | A,B,C,D,E | 2AFH | 0.71 |