Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02303253
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 |
5IQ![]() | ISOQUINOLIN-5-AMINE | A,B | 2F2T | 0.79 | ![]() |
OBI![]() | 1,1'-(OXYDIMETHYLENE)BIS(4-FORMYLPYRIDINIUM)DIOXIME | A,B | 2GYW | 0.73 | ![]() |
APY![]() | 2-AMINOMETHYL-PYRIDINE | A,B,I | 1HIV | 0.84 | ![]() |
APY![]() | 2-AMINOMETHYL-PYRIDINE | I | 1IVP | 0.84 | ![]() |
L12![]() | 3-(2-PYRIDIN-4-YLETHYL)-1H-INDOLE | A | 1W84 | 0.71 | ![]() |
DA1![]() | PYRIDINE-2,5-DIAMINE | A | 2AQD | 0.77 | ![]() |
PRM![]() | 3,8-DIAMINO-5[3-(DIETHYLMETHYLAMMONIO)PROPYL]- 6-PHENYLPHENANTHRIDINIUM | A,B | 1N5R | 0.7 | ![]() |
PY2![]() | 3-(MERCAPTOMETHYLENE)PYRIDINE | A,B | 1IDA | 0.72 | ![]() |
DCU![]() | A,B | 1J07 | 0.7 | ![]() | |
11X![]() | N-(pyridin-3-ylmethyl)aniline | A | 3EJ0 | 0.8 | ![]() |
DPT![]() | 4,7-DIMETHYL-[1,10]PHENANTHROLINE | A,B | 1I53 | 0.86 | ![]() |
D4G![]() | A,B,C,D | 2FDY | 0.74 | ![]() | |
2AQ![]() | QUINOLIN-2-AMINE | A | 2OHL | 0.7 | ![]() |
SB6![]() | 4-(4-FLUOROPHENYL)-1-CYCLOROPROPYLMETHYL- 5-(4-PYRIDYL)-IMIDAZOLE | A | 1BL6 | 0.73 | ![]() |
HBP![]() | 1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIME | A,B | 2GYV | 0.8 | ![]() |
HBP![]() | 1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIME | A,B | 2JF0 | 0.8 | ![]() |
275![]() | 5-amino-1,2-dimethylpyridinium | X | 2RBW | 0.89 | ![]() |
8IP![]() | N~3~-(3-PYRIDIN-3-YLBENZYL)PYRIDINE- 2,3-DIAMINE | A | 2OHR | 0.71 | ![]() |
NPM![]() | N-[(1E)-PYRIDIN-2-YLMETHYLENE]- N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE | A,B | 2ET0 | 0.76 | ![]() |
760![]() | 9-(3-PHENYLMETHYLAMINO)-1,2,3,4- TETRAHYDROACRIDINE | A | 1DX4 | 0.71 | ![]() |
LG4![]() | 5-METHYLPYRIDIN-2-AMINE | A | 2EUP | 0.7 | ![]() |
PHN![]() | 1,10-PHENANTHROLINE | A | 1LIH | 0.86 | ![]() |
PHN![]() | 1,10-PHENANTHROLINE | A | 2LIG | 0.86 | ![]() |
PHN![]() | 1,10-PHENANTHROLINE | A,B | 2FU7 | 0.86 | ![]() |
278![]() | 1-(1-methyl-1H-pyrrol-2-yl)methanamine | X | 2RBV | 0.81 | ![]() |
AUP![]() | 2-(2-PHENYL-3-PYRIDIN-2-YL-4,5,6,7- TETRAHYDRO-2H-ISOPHOSPHINDOL-1- YL)PYRIDINE | A | 2AAQ | 0.74 | ![]() |
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 | 0.76 | ![]() |
NCT![]() | (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE | A | 1P2Y | 0.76 | ![]() |
NCT![]() | (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE | A | 1P7R | 0.76 | ![]() |
PIQ![]() | 2-AMINO-1-METHYL-6-PHENYLIMIDAZO[4,5- B]PYRIDINE | A,B | 2QXM | 0.73 | ![]() |
PIQ![]() | 2-AMINO-1-METHYL-6-PHENYLIMIDAZO[4,5- B]PYRIDINE | A | 1HZ0 | 0.73 | ![]() |
286![]() | 2-ethenyl-1-methylpyridinium | X | 2RC2 | 0.87 | ![]() |
JNF![]() | N-cyclohexyl-4-imidazo[1,2-a]pyridin- 3-yl-N-methylpyrimidin-2-amine | A | 3CGF | 0.72 | ![]() |
245![]() | 1-(2-chloropyridin-4-yl)-3-phenylurea | A | 2QKN | 0.71 | ![]() |
IQS![]() | N-[2-(METHYLAMINO)ETHYL]-5-ISOQUINOLINESULFONAMIDE | E | 1YDS | 0.7 | ![]() |
460![]() | 2-[5-(6-METHYLPYRIDIN-2-YL)-2,3- DIHYDRO-1H-PYRAZOL-4-YL]-1,5-NAPHTHYRIDINE | A | 1VJY | 0.79 | ![]() |
3B3![]() | (2S)-1-AMINO-3-[(5-NITROQUINOLIN- 8-YL)AMINO]PROPAN-2-OL | A | 2CGV | 0.71 | ![]() |
8AP![]() | N~3~-BENZYLPYRIDINE-2,3-DIAMINE | A | 2OHM | 0.76 | ![]() |
SPY![]() | 4-HYDROSULFONYLPYRIDINE | A,B | 1IDB | 0.7 | ![]() |
CLQ![]() | N4-(7-CHLORO-QUINOLIN-4-YL)-N1,N1- DIETHYL-PENTANE-1,4-DIAMINE | A | 1CET | 0.74 | ![]() |
855![]() | 2-(6-methylpyridin-2-yl)-N-pyridin- 4-ylquinazolin-4-amine | A | 3HMM | 0.7 | ![]() |
QUI![]() | 2-CARBOXYQUINOXALINE | A | 1PFE | 0.77 | ![]() |
QUI![]() | 2-CARBOXYQUINOXALINE | A,B | 2DA8 | 0.77 | ![]() |
QUI![]() | 2-CARBOXYQUINOXALINE | A,C,E,G | 2ADW | 0.77 | ![]() |
QUI![]() | 2-CARBOXYQUINOXALINE | A | 1VS2 | 0.77 | ![]() |
QUI![]() | 2-CARBOXYQUINOXALINE | A | 1XVN | 0.77 | ![]() |
QUI![]() | 2-CARBOXYQUINOXALINE | A,B | 185D | 0.77 | ![]() |
QUI![]() | 2-CARBOXYQUINOXALINE | A | 1XVK | 0.77 | ![]() |
QUI![]() | 2-CARBOXYQUINOXALINE | A,C | 1XVR | 0.77 | ![]() |
QUI![]() | 2-CARBOXYQUINOXALINE | A,B | 3GO3 | 0.77 | ![]() |
SCE![]() | 3-methyl-N-(pyridin-4-ylmethyl)imidazo[1,2- a]pyrazin-8-amine | A | 2R3H | 0.71 | ![]() |
MIB![]() | (3E)-4-(1-METHYL-1H-INDOL-3-YL)BUT- 3-EN-2-ONE | A | 1ZS5 | 0.7 | ![]() |
ISQ![]() | ISOQUINOLINE | A | 1GDK | 0.78 | ![]() |
34Q![]() | (3R,4R)-4-(pyrrolidin-1-ylcarbonyl)- 1-(quinoxalin-2-ylcarbonyl)pyrrolidin- 3-amine | A | 2RIP | 0.74 | ![]() |
PF7![]() | 4-(quinolin-3-ylmethyl)piperidine- 1-carboxylic acid | A,B | 2VYA | 0.75 | ![]() |
QMS![]() | N-(QUINOLIN-8-YL)METHANESULFONAMIDE | A | 2BB7 | 0.81 | ![]() |
1SQ![]() | ISOQUINOLIN-1-AMINE | A | 2OHK | 0.73 | ![]() |
A8N![]() | N-9-(1',2',3',4'-TETRAHYDROACRIDINYL)- 1,8-DIAMINOOCTANE | A | 1UT6 | 0.7 | ![]() |
DEQ![]() | DEQUALINIUM | A,B,D,E | 1JT6 | 0.73 | ![]() |
DEQ![]() | DEQUALINIUM | A,B,D,E | 3BR2 | 0.73 | ![]() |
DEQ![]() | DEQUALINIUM | A | 1OYD | 0.73 | ![]() |
DEQ![]() | DEQUALINIUM | A,B,D,E | 3BT9 | 0.73 | ![]() |
DEQ![]() | DEQUALINIUM | A,B,D,E | 3BTJ | 0.73 | ![]() |
DEQ![]() | DEQUALINIUM | A,B,D,E | 3BR1 | 0.73 | ![]() |
1PS![]() | 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE | A,B,C,D | 2RFQ | 0.74 | ![]() |
1PS![]() | 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE | A,B,C,D,E,F | 2GA4 | 0.74 | ![]() |
1PS![]() | 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE | A,B,C,D,E,F | 1R4P | 0.74 | ![]() |
PRL![]() | PROFLAVIN | H,I | 1BCU | 0.71 | ![]() |
PRL![]() | PROFLAVIN | A,B,D,E | 1QVT | 0.71 | ![]() |
PRL![]() | PROFLAVIN | A,B | 2KD4 | 0.71 | ![]() |
PRL![]() | PROFLAVIN | A | 1QVU | 0.71 | ![]() |
THA![]() | TACRINE | A,B | 2AOW | 0.73 | ![]() |
THA![]() | TACRINE | A,B,C,D,E,F | 1MX1 | 0.73 | ![]() |
THA![]() | TACRINE | A,B | 2AOX | 0.73 | ![]() |
THA![]() | TACRINE | A | 1ACJ | 0.73 | ![]() |
SB9![]() | HYDROXY[3-(6-METHYLPYRIDIN-2-YL)PROPYL]FORMAMIDE | P | 2AIE | 0.72 | ![]() |
3MP![]() | 3-METHYLPYRIDINE | A | 1EUB | 0.76 | ![]() |
3MP![]() | 3-METHYLPYRIDINE | A | 1BM6 | 0.76 | ![]() |
4AP![]() | 4-AMINOPYRIDINE | A | 1AEG | 0.74 | ![]() |
FPH![]() | 3-(4-FLUOROPHENYL)-2-PYRIDIN-4- YL-1H-PYRROLO[3,2-B]PYRIDIN-1-OL | A | 1OZ1 | 0.73 | ![]() |
RW1![]() | 4-phenylpyrimidine | A,B,C | 3B9S | 0.71 | ![]() |
GIQ![]() | 3-METHYL-3H-IMIDAZO[4,5-F]QUINOLIN- 2-AMINE | A | 2Z2G | 0.75 | ![]() |
GIQ![]() | 3-METHYL-3H-IMIDAZO[4,5-F]QUINOLIN- 2-AMINE | A | 2Z2H | 0.75 | ![]() |
GIQ![]() | 3-METHYL-3H-IMIDAZO[4,5-F]QUINOLIN- 2-AMINE | A | 2HKC | 0.75 | ![]() |
PY1![]() | 4-(3-PYRIDIN-2-YL-1H-PYRAZOL-4- YL)QUINOLINE | A | 1PY5 | 0.71 | ![]() |
PYS![]() | 2-PYRIDINETHIOL | A,B | 1CTE | 0.72 | ![]() |
PYS![]() | 2-PYRIDINETHIOL | A | 2IPP | 0.72 | ![]() |
QYT![]() | (5E)-5-(QUINOXALIN-6-YLMETHYLENE)- 1,3-THIAZOLIDINE-2,4-DIONE | A | 2A5U | 0.75 | ![]() |
3AP![]() | 3-AMINOPYRIDINE | A | 1AEF | 0.8 | ![]() |
NTN![]() | ISONICOTINAMIDINE | A | 7ADH | 0.73 | ![]() |