Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03232367
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 |
HSI | (3R)-3-{4-[(4-CHLOROPHENYL)ETHYNYL]BENZOYL}NONANOIC ACID | A | 2Z2D | 0.87 | |
156 | 4-[3-OXO-3-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTHALEN-2- YL)-PROPENYL]-BENZOIC ACID | A | 1FCZ | 0.73 | |
TTB | 4-[(1E)-2-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRONAPHTHALEN-2- YL)PROP-1-ENYL]BENZOIC ACID | A | 1XAP | 0.72 | |
AFI | 2-[4-(4-CHLOROPHENYL)CYCLOHEXYLIDENE]- 3,4-DIHYDROXY-1(2H)-NAPHTHALENONE | A,B | 1UUM | 0.74 | |
OSB | 2-SUCCINYLBENZOATE | A | 1FHV | 0.7 | |
OSB | 2-SUCCINYLBENZOATE | A,B,C,D | 1SJB | 0.7 | |
OSB | 2-SUCCINYLBENZOATE | A,B | 2QVH | 0.7 | |
CS4 | S-[3-(3,4-DICHLOROPHENYL)-3-OXOPROPYL]- L-CYSTEINE | A | 2OQZ | 0.73 | |
ELI | 6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN- 2-YL)HEXANOIC ACID | A,B | 2GH5 | 0.74 | |
564 | 6-(5,5,8,8-TETRAMETHYL-5,6,7,8- TETRAHYDRO-NAPHTALENE-2-CARBONYL)- NAPHTALENE-2-CARBOXYLIC ACID | A | 1FCY | 0.71 | |
174 | 4-CHLORO-BENZOIC ACID | X | 3DLP | 0.71 | |
174 | 4-CHLORO-BENZOIC ACID | X | 1T5D | 0.71 | |
CPM | S-(2-CARBOXY-3-PHENYLPROPYL)THIODIIMINE- S-METHANE | A | 1CPS | 0.71 | |
ISF | A,B | 1PGE | 0.71 | ||
TRZ | TRAZEOLIDE | A | 1C12 | 0.75 |