Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01742840
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 | |
HCT | (2R)-butane-1,2,4-tricarboxylic acid | A,B,C | 3DP8 | 0.76 | |
HCT | (2R)-butane-1,2,4-tricarboxylic acid | A,B,C | 3E3K | 0.76 | |
0PA | cyclopentylacetic acid | A,B | 3DWR | 0.76 | |
KTA | (S)-CYCLOHEXANONE-2-ACETATE | A,B | 2J5S | 0.76 | |
COI | 2-OXO-4-METHYLPENTANOIC ACID | A,B | 1QS0 | 0.79 | |
COI | 2-OXO-4-METHYLPENTANOIC ACID | A,C | 1UMD | 0.79 | |
COI | 2-OXO-4-METHYLPENTANOIC ACID | A | 1DXY | 0.79 | |
COI | 2-OXO-4-METHYLPENTANOIC ACID | A,B | 2HDK | 0.79 | |
COI | 2-OXO-4-METHYLPENTANOIC ACID | A | 1HJF | 0.79 | |
TRC | TRICARBALLYLIC ACID | A | 6ACN | 0.71 | |
TRC | TRICARBALLYLIC ACID | A,B | 2PW0 | 0.71 | |
TRC | TRICARBALLYLIC ACID | A | 5ACN | 0.71 | |
SHF | LAEVULINIC ACID | A | 1YLV | 0.78 | |
SHF | LAEVULINIC ACID | A | 1H7N | 0.78 | |
3OC | (1R)-3-oxocyclohexanecarboxylic acid | A,B | 3DZL | 0.84 | |
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 | |
4AT | 5-OXOHEXANOIC ACID | A,B | 2EFY | 0.7 | |
SHU | 4,6-DIOXOHEPTANOIC ACID | A | 1H7R | 0.76 | |
6NA | HEXANOIC ACID | A,B | 2IX4 | 0.71 | |
6NA | HEXANOIC ACID | A,B | 2IWZ | 0.71 | |
6NA | HEXANOIC ACID | A | 2IQ0 | 0.71 | |
DSB | 4,7-DIOXOSEBACIC ACID | A,B | 1I8J | 0.76 | |
DSB | 4,7-DIOXOSEBACIC ACID | A | 1EB3 | 0.76 | |
DSB | 4,7-DIOXOSEBACIC ACID | A,B | 1L6S | 0.76 | |
DSB | 4,7-DIOXOSEBACIC ACID | A,B | 2C1H | 0.76 | |
OHA | 10-oxohexadecanoic acid | A,B,C,D | 2OD6 | 0.72 | |
LNG | 12-METHYLTRIDECANOIC ACID | A,B,C,D,E,F, G,H,I,J,K,L | 1W3M | 0.76 | |
OOA | 3-OXOOCTANOIC ACID | A,B,C,D | 1H0M | 0.7 | |
PAY | OCTANE-1,3,5,7-TETRACARBOXYLIC ACID | A,B | 2V77 | 0.71 | |
LTL | 6-HYDROXY-6-METHYL-HEPTAN-3-ONE | A | 1I05 | 0.75 | |
2PP | 2-PROPYL-PENTANOIC ACID | P | 1DIT | 0.85 | |
CXP | CYCLOHEXANE PROPIONIC ACID | A,B | 2AY2 | 0.74 | |
4OX | 4-OXODECANEDIOIC ACID | A,B | 1L6Y | 0.74 | |
4OX | 4-OXODECANEDIOIC ACID | A | 1GJP | 0.74 | |
CCM | 1-METHYL-1-CARBOXY-CYCLOPENTANE | A | 1THL | 0.73 |