Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03818266
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 |
3MP![]() | 3-METHYLPYRIDINE | A | 1EUB | 0.73 | ![]() |
3MP![]() | 3-METHYLPYRIDINE | A | 1BM6 | 0.73 | ![]() |
L12![]() | 3-(2-PYRIDIN-4-YLETHYL)-1H-INDOLE | A | 1W84 | 0.71 | ![]() |
PPX![]() | [PHENYLALANINYL-PROLINYL]-[2-(PYRIDIN- 4-YLAMINO)-ETHYL]-AMINE | E,H | 1QBV | 0.71 | ![]() |
DEQ![]() | DEQUALINIUM | A,B,D,E | 1JT6 | 0.71 | ![]() |
DEQ![]() | DEQUALINIUM | A,B,D,E | 3BR2 | 0.71 | ![]() |
DEQ![]() | DEQUALINIUM | A | 1OYD | 0.71 | ![]() |
DEQ![]() | DEQUALINIUM | A,B,D,E | 3BT9 | 0.71 | ![]() |
DEQ![]() | DEQUALINIUM | A,B,D,E | 3BTJ | 0.71 | ![]() |
DEQ![]() | DEQUALINIUM | A,B,D,E | 3BR1 | 0.71 | ![]() |
HLO![]() | 1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM | A,B | 2JEY | 0.71 | ![]() |
HLO![]() | 1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM | A,B | 2JEZ | 0.71 | ![]() |
6NI![]() | 6-NITROINDAZOLE | A,B | 1M8H | 0.72 | ![]() |
6NI![]() | 6-NITROINDAZOLE | A,B | 1M9M | 0.72 | ![]() |
OBI![]() | 1,1'-(OXYDIMETHYLENE)BIS(4-FORMYLPYRIDINIUM)DIOXIME | A,B | 2GYW | 0.74 | ![]() |
4AP![]() | 4-AMINOPYRIDINE | A | 1AEG | 0.71 | ![]() |
CII![]() | N-[(1S)-2-methyl-1-(pyridin-4-ylcarbamoyl)propyl]cyclohexanecarboxamide | A | 2W0A | 0.71 | ![]() |
PY1![]() | 4-(3-PYRIDIN-2-YL-1H-PYRAZOL-4- YL)QUINOLINE | A | 1PY5 | 0.75 | ![]() |
FPH![]() | 3-(4-FLUOROPHENYL)-2-PYRIDIN-4- YL-1H-PYRROLO[3,2-B]PYRIDIN-1-OL | A | 1OZ1 | 0.71 | ![]() |
11X![]() | N-(pyridin-3-ylmethyl)aniline | A | 3EJ0 | 0.82 | ![]() |
793![]() | 3-{[(1R)-1-phenylethyl]amino}-4- (pyridin-4-ylamino)cyclobut-3-ene- 1,2-dione | A | 3FPM | 0.74 | ![]() |
275![]() | 5-amino-1,2-dimethylpyridinium | X | 2RBW | 0.73 | ![]() |
BVF![]() | 4-METHYLPYRIDIN-2-AMINE | A,B | 3E67 | 0.71 | ![]() |
BVF![]() | 4-METHYLPYRIDIN-2-AMINE | A | 2EUT | 0.71 | ![]() |
PRL![]() | PROFLAVIN | H,I | 1BCU | 0.7 | ![]() |
PRL![]() | PROFLAVIN | A,B,D,E | 1QVT | 0.7 | ![]() |
PRL![]() | PROFLAVIN | A,B | 2KD4 | 0.7 | ![]() |
PRL![]() | PROFLAVIN | A | 1QVU | 0.7 | ![]() |
QMS![]() | N-(QUINOLIN-8-YL)METHANESULFONAMIDE | A | 2BB7 | 0.74 | ![]() |
APY![]() | 2-AMINOMETHYL-PYRIDINE | A,B,I | 1HIV | 0.72 | ![]() |
APY![]() | 2-AMINOMETHYL-PYRIDINE | I | 1IVP | 0.72 | ![]() |
460![]() | 2-[5-(6-METHYLPYRIDIN-2-YL)-2,3- DIHYDRO-1H-PYRAZOL-4-YL]-1,5-NAPHTHYRIDINE | A | 1VJY | 0.71 | ![]() |
PHN![]() | 1,10-PHENANTHROLINE | A | 1LIH | 0.7 | ![]() |
PHN![]() | 1,10-PHENANTHROLINE | A | 2LIG | 0.7 | ![]() |
PHN![]() | 1,10-PHENANTHROLINE | A,B | 2FU7 | 0.7 | ![]() |
CLQ![]() | N4-(7-CHLORO-QUINOLIN-4-YL)-N1,N1- DIETHYL-PENTANE-1,4-DIAMINE | A | 1CET | 0.71 | ![]() |
LG4![]() | 5-METHYLPYRIDIN-2-AMINE | A | 2EUP | 0.72 | ![]() |
246![]() | 1-benzyl-3-(2-chloropyridin-4-yl)urea | A | 2QPM | 0.72 | ![]() |
8AP![]() | N~3~-BENZYLPYRIDINE-2,3-DIAMINE | A | 2OHM | 0.74 | ![]() |
NPM![]() | N-[(1E)-PYRIDIN-2-YLMETHYLENE]- N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE | A,B | 2ET0 | 0.75 | ![]() |
K27![]() | 4-carbamoyl-1-(3-{4-[(E)-(hydroxyimino)methyl]pyridinium- 1-yl}propyl)pyridinium | A,B | 2WHR | 0.71 | ![]() |
NTN![]() | ISONICOTINAMIDINE | A | 7ADH | 0.72 | ![]() |
5IQ![]() | ISOQUINOLIN-5-AMINE | A,B | 2F2T | 0.77 | ![]() |
THA![]() | TACRINE | A,B | 2AOW | 0.7 | ![]() |
THA![]() | TACRINE | A,B,C,D,E,F | 1MX1 | 0.7 | ![]() |
THA![]() | TACRINE | A,B | 2AOX | 0.7 | ![]() |
THA![]() | TACRINE | A | 1ACJ | 0.7 | ![]() |
5NI![]() | 5-NITROINDAZOLE | A,B | 1M8I | 0.71 | ![]() |
5NI![]() | 5-NITROINDAZOLE | A,B | 1M9Q | 0.71 | ![]() |
NCT![]() | (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE | A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P,Q,R, S,T | 1UW6 | 0.74 | ![]() |
NCT![]() | (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE | A | 1P2Y | 0.74 | ![]() |
NCT![]() | (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE | A | 1P7R | 0.74 | ![]() |
DPT![]() | 4,7-DIMETHYL-[1,10]PHENANTHROLINE | A,B | 1I53 | 0.71 | ![]() |
IM4![]() | (2E)-1-[(6-chloropyridin-3-yl)methyl]- N-nitroimidazolidin-2-imine | A,C,D,E | 2ZJU | 0.71 | ![]() |
IM4![]() | (2E)-1-[(6-chloropyridin-3-yl)methyl]- N-nitroimidazolidin-2-imine | A,B,C,D | 3C79 | 0.71 | ![]() |
MIL![]() | MILRINONE | A,B | 1TLM | 0.71 | ![]() |
LL1![]() | 3-pyridin-4-yl-1H-indazole | A | 3DNE | 0.79 | ![]() |
1CM![]() | (2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDE | A | 2CI0 | 0.74 | ![]() |
HBP![]() | 1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIME | A,B | 2GYV | 0.73 | ![]() |
HBP![]() | 1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIME | A,B | 2JF0 | 0.73 | ![]() |
GG5![]() | 4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL- 4-YL]PYRIDINE | A | 3HVC | 0.78 | ![]() |
3B3![]() | (2S)-1-AMINO-3-[(5-NITROQUINOLIN- 8-YL)AMINO]PROPAN-2-OL | A | 2CGV | 0.77 | ![]() |
8IP![]() | N~3~-(3-PYRIDIN-3-YLBENZYL)PYRIDINE- 2,3-DIAMINE | A | 2OHR | 0.7 | ![]() |
Y27![]() | (R)-TRANS-4-(1-AMINOETHYL)-N-(4- PYRIDYL) CYCLOHEXANECARBOXAMIDE | A | 2GNF | 0.72 | ![]() |
Y27![]() | (R)-TRANS-4-(1-AMINOETHYL)-N-(4- PYRIDYL) CYCLOHEXANECARBOXAMIDE | A | 2H9V | 0.72 | ![]() |
Y27![]() | (R)-TRANS-4-(1-AMINOETHYL)-N-(4- PYRIDYL) CYCLOHEXANECARBOXAMIDE | A,B | 2ETR | 0.72 | ![]() |
Y27![]() | (R)-TRANS-4-(1-AMINOETHYL)-N-(4- PYRIDYL) CYCLOHEXANECARBOXAMIDE | A | 2GNJ | 0.72 | ![]() |
Y27![]() | (R)-TRANS-4-(1-AMINOETHYL)-N-(4- PYRIDYL) CYCLOHEXANECARBOXAMIDE | A | 1Q8T | 0.72 | ![]() |
286![]() | 2-ethenyl-1-methylpyridinium | X | 2RC2 | 0.72 | ![]() |
HI6![]() | 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]PYRIDINIUM | A,B | 2WHQ | 0.71 | ![]() |
HI6![]() | 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]PYRIDINIUM | A,B | 2WHP | 0.71 | ![]() |
HI6![]() | 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]PYRIDINIUM | A,B | 2GYU | 0.71 | ![]() |
VC3![]() | 3-(4-nitrophenyl)-1H-pyrazole | A,B,C,D | 2VCZ | 0.74 | ![]() |
7I2![]() | 7-NITROINDAZOLE-2-CARBOXAMIDINE | A,B | 1FOJ | 0.71 | ![]() |
RW1![]() | 4-phenylpyrimidine | A,B,C | 3B9S | 0.71 | ![]() |
LIG![]() | 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2- .C.]PYRAZOLE | P | 1JVP | 0.76 | ![]() |
SM5![]() | (1E)-5-(1-piperidin-4-yl-3-pyridin- 4-yl-1H-pyrazol-4-yl)-2,3-dihydro- 1H-inden-1-one oxime | A,B | 3D4Q | 0.75 | ![]() |
ISQ![]() | ISOQUINOLINE | A | 1GDK | 0.73 | ![]() |
1SQ![]() | ISOQUINOLIN-1-AMINE | A | 2OHK | 0.7 | ![]() |