Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03781760
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 |
CF4 | [4-(7,8-dimethyl-2,4-dioxo-3,4- dihydrobenzo[g]pteridin-10(2H)- yl)butyl]carbamic acid | A | 2VKG | 0.77 | |
IRF | 1-DEOXY-1-(8-IODO-7-METHYL-2,4- DIOXO-3,4-DIHYDROBENZO[G]PTERIDIN- 10(2H)-YL)-D-RIBITOL | A | 2J08 | 0.71 | |
XX4 | 3-(2-AMINO-6-BENZOYLQUINAZOLIN- 3(4H)-YL)-N-CYCLOHEXYL-N-METHYLPROPANAMIDE | A,B,C | 2Q11 | 0.71 | |
XXZ | 1-[4-(AMINOMETHYL)BENZOYL]-5'-FLUORO- 1'H-SPIRO[PIPERIDINE-4,2'-QUINAZOLIN]- 4'-AMINE | A,B | 3E65 | 0.75 | |
AZQ | AZAPROPAZONE | A | 2BXK | 0.75 | |
AZQ | AZAPROPAZONE | A | 2BXI | 0.75 | |
AZQ | AZAPROPAZONE | A,B | 2BX8 | 0.75 | |
CL3 | N-METHYL-N-[3-(6-PHENYL[1,2,4]TRIAZOLO[4,3- B]PYRIDAZIN-3-YL)PHENYL]ACETAMIDE | A | 1Y2G | 0.72 | |
FRM | 2-{3-[4-(4-FLUOROPHENYL)-3,6-DIHYDRO- 1(2H)-PYRIDINYL]PROPYL}-8-METHYL- 4(3H)-QUINAZOLINONE | A,B | 1UK0 | 0.71 | |
1A2 | 5-(4'-AMINO-1'-ETHYL-5',8'-DIFLUORO- 1'H-SPIRO[PIPERIDINE-4,2'-QUINAZOLINE]- 1-YLCARBONYL)PICOLINONITRILE | A,B | 3E6T | 0.75 | |
12Q | 1-METHYLQUINOLIN-2(1H)-ONE | A,B | 2F64 | 0.71 | |
RBF | RIBOFLAVINE | B,D,F,H | 2FL5 | 0.71 | |
RBF | RIBOFLAVINE | A | 2CC8 | 0.71 | |
RBF | RIBOFLAVINE | A,B | 1PKV | 0.71 | |
RBF | RIBOFLAVINE | A,B | 1T6Z | 0.71 | |
RBF | RIBOFLAVINE | A | 2VX9 | 0.71 | |
RBF | RIBOFLAVINE | A,B,C,D,E | 1KYV | 0.71 | |
RBF | RIBOFLAVINE | A | 1MOG | 0.71 | |
RBF | RIBOFLAVINE | A,B,C,D,E,F, G,H,I,J,K,L | 2VXA | 0.71 | |
RBF | RIBOFLAVINE | A,B | 1L5R | 0.71 | |
RBF | RIBOFLAVINE | A,B | 1HZE | 0.71 | |
RBF | RIBOFLAVINE | A,B,C,D,E | 2A58 | 0.71 | |
RBF | RIBOFLAVINE | A,B | 1BU5 | 0.71 | |
RBF | RIBOFLAVINE | X,Y | 3F4G | 0.71 | |
RBF | RIBOFLAVINE | A | 1NB9 | 0.71 | |
RBF | RIBOFLAVINE | A,B | 1I18 | 0.71 | |
RBF | RIBOFLAVINE | A | 3DDY | 0.71 | |
RBF | RIBOFLAVINE | A | 2CCB | 0.71 | |
SII | N-(4-{[4-(cyclohexylamino)-1-(3- fluorophenyl)-2-oxo-1,3,8-triazaspiro[4.5]dec- 3-en-8-yl]methyl}phenyl)acetamide | A | 3FKT | 0.73 | |
RS3 | 1-deoxy-1-[8-(dimethylamino)-7- methyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin- 10(2H)-yl]-D-ribitol | X,Y | 3F4H | 0.71 | |
LFN | LUMIFLAVIN | A | 2CCC | 0.82 | |
ZAT | 4,4'-DIACETYLDIPHENYLUREA-BIS(GUANYLHYDRAZONE) | A | 2W0J | 0.71 |