Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03251472
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 |
CEL | 4-[5-(4-METHYLPHENYL)-3-(TRIFLUOROMETHYL)- 1H-PYRAZOL-1-YL]BENZENESULFONAMIDE | A | 1OQ5 | 0.75 | |
2MI | 2-METHYL-1H-INDOLE | A | 2PIO | 0.7 | |
CMW | 3-{[(4-methylphenyl)sulfonyl]amino}propyl pyridin- 4-ylcarbamate | A | 2W0B | 0.72 | |
1PS | 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE | A,B,C,D | 2RFQ | 0.71 | |
1PS | 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE | A,B,C,D,E,F | 2GA4 | 0.71 | |
1PS | 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE | A,B,C,D,E,F | 1R4P | 0.71 | |
IQS | N-[2-(METHYLAMINO)ETHYL]-5-ISOQUINOLINESULFONAMIDE | E | 1YDS | 0.73 | |
5CH | 5-chloro-6'-methyl-3-[4-(methylsulfonyl)phenyl]- 2,3'-bipyridine | A | 3CFL | 0.72 | |
IQP | 1-(5-ISOQUINOLINESULFONYL)-2-METHYLPIPERAZINE | E | 1YDR | 0.72 | |
760 | 9-(3-PHENYLMETHYLAMINO)-1,2,3,4- TETRAHYDROACRIDINE | A | 1DX4 | 0.71 | |
IQU | N-(2-AMINOETHYL)ISOQUINOLINE-5- SULFONAMIDE | A,B,C,D | 2CKE | 0.73 | |
M77 | 5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE | A,B | 2ESM | 0.71 | |
M77 | 5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE | A,B | 2F2U | 0.71 | |
M77 | 5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE | A | 2GNI | 0.71 | |
M77 | 5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE | A | 1Q8W | 0.71 | |
BHT | N-[4-(BIS{4-[(3-SULFOPHENYL)AMINO]PHENYL}METHYLENE)CYCLOHEXA- 2,5-DIEN-1-YLIDENE]-4-SULFOBENZENAMINIUM | A | 2ZJO | 0.71 | |
2AQ | QUINOLIN-2-AMINE | A | 2OHL | 0.73 | |
5IQ | ISOQUINOLIN-5-AMINE | A,B | 2F2T | 0.7 | |
DEQ | DEQUALINIUM | A,B,D,E | 1JT6 | 0.72 | |
DEQ | DEQUALINIUM | A,B,D,E | 3BR2 | 0.72 | |
DEQ | DEQUALINIUM | A | 1OYD | 0.72 | |
DEQ | DEQUALINIUM | A,B,D,E | 3BT9 | 0.72 | |
DEQ | DEQUALINIUM | A,B,D,E | 3BTJ | 0.72 | |
DEQ | DEQUALINIUM | A,B,D,E | 3BR1 | 0.72 | |
A8N | N-9-(1',2',3',4'-TETRAHYDROACRIDINYL)- 1,8-DIAMINOOCTANE | A | 1UT6 | 0.7 | |
AS3 | 4-METHYL-6-PROPYLPYRIDIN-2-AMINE | A,B | 3E6N | 0.73 | |
HBP | 1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIME | A,B | 2GYV | 0.7 | |
HBP | 1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIME | A,B | 2JF0 | 0.7 | |
286 | 2-ethenyl-1-methylpyridinium | X | 2RC2 | 0.7 | |
11X | N-(pyridin-3-ylmethyl)aniline | A | 3EJ0 | 0.72 |