Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00038394
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 |
DF9![]() | (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2- d]pyrimidin-7-yl)methyl]-4-[(benzylsulfanyl)methyl]pyrrolidin- 3-ol | A,B | 3DF9 | 0.72 | ![]() |
REM![]() | Nalpha-[(2S)-2-benzyl-3-(tert-butylsulfonyl)propanoyl]- N-[(1S,2R,3S)-1-(cyclohexylmethyl)- 3-cyclopropyl-2,3-dihydroxypropyl]- L-histidinamide | A,B | 3D91 | 0.7 | ![]() |
JNK![]() | N-{2'-[(4-FLUOROPHENYL)AMINO]-4,4'- BIPYRIDIN-2-YL}-4-METHOXYCYCLOHEXANECARBOXAMIDE | X | 2EXC | 0.7 | ![]() |
IM9![]() | 2-{4-[4-({4-[2-methyl-1-(1-methylethyl)- 1H-imidazol-5-yl]pyrimidin-2-yl}amino)phenyl]piperazin- 1-yl}-2-oxoethanol | A | 2VV9 | 0.7 | ![]() |
WSA![]() | 5'-O-[(L-TRYPTOPHYLAMINO)SULFONYL]ADENOSINE | A,B,C,D | 2YY5 | 0.71 | ![]() |
LI9![]() | 4-(4-FLUOROPHENYL)-1-METHYL-5-(2- {[(1S)-1-PHENYLETHYL]AMINO}PYRIMIDIN- 4-YL)-2-PIPERIDIN-4-YL-1,2-DIHYDRO- 3H-PYRAZOL-3-ONE | A | 1YWR | 0.7 | ![]() |
FBI![]() | 7-[4-(4-FLUORO-PHENYL)-6-ISOPROPYL- 2-(METHANESULFONYL-METHYL-AMINO)- PYRIMIDIN-5-YL] -3,5-DIHYDROXY- HEPTANOIC ACID | A,B,C,D | 1HWL | 0.7 | ![]() |
DAK![]() | 4-(N,N-DIMETHYLAMINO)CINNAMOYL- COA | A,B,C,D,E,F | 1EY3 | 0.72 | ![]() |
SB4![]() | 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)- 5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE | A | 1BL7 | 0.71 | ![]() |
SB4![]() | 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)- 5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE | A | 3ERK | 0.71 | ![]() |
685![]() | 2-{2-[(3,5-dimethylphenyl)amino]pyrimidin- 4-yl}-N-[(1S)-2-hydroxy-1-methylethyl]- 4-methyl-1,3-thiazole-5-carboxamide | A | 3EMG | 0.73 | ![]() |
CA3![]() | COA-S-TRIMETHYLENE-ACETYL-TRYPTAMINE | A | 1KUX | 0.7 | ![]() |
VGB![]() | (5R,6R,7R,8S)-6,7-dihydroxy-5-(hydroxymethyl)- 2-(2-phenylethyl)-8-(propanoylamino)- 5,6,7,8-tetrahydro-1H-imidazo[1,2- a]pyridin-4-ium | A,B | 2WB5 | 0.72 | ![]() |
CY0![]() | S-{3-[(4-ANILINOQUINAZOLIN-6-YL)AMINO]- 3-OXOPROPYL}-L-CYSTEINE | A | 2J5E | 0.75 | ![]() |
GSZ![]() | N-[(5R,6R,7R,8S)-6,7-DIHYDROXY- 5-(HYDROXYMETHYL)-2-(2-PHENYLETHYL)- 1,5,6,7,8,8A-HEXAHYDROIMIDAZO[1,2- A]PYRIDIN-8-YL]-2-METHYLPROPANAMIDE | A,B | 2J62 | 0.72 | ![]() |
ZZB![]() | A | 2WFG | 0.7 | ![]() | |
COT![]() | COA-S-ACETYL TRYPTAMINE | A | 1KUY | 0.71 | ![]() |
COT![]() | COA-S-ACETYL TRYPTAMINE | E,F,G,H | 1IB1 | 0.71 | ![]() |
COT![]() | COA-S-ACETYL TRYPTAMINE | A | 1CJW | 0.71 | ![]() |
COT![]() | COA-S-ACETYL TRYPTAMINE | A | 1L0C | 0.71 | ![]() |