Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02253456
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 |
8AP | N~3~-BENZYLPYRIDINE-2,3-DIAMINE | A | 2OHM | 0.78 |  |
CDA | 2-(6-CHLORO-3-{[2,2-DIFLUORO-2- (2-PYRIDINYL)ETHYL]AMINO}-2-OXO- 1(2H)-PYRAZINYL)-N-[(2-FLUORO-6- PYRIDINYL)METHYL]ACETAMIDE | B,C | 1MU6 | 0.71 | |
APY | 2-AMINOMETHYL-PYRIDINE | A,B,I | 1HIV | 0.84 | |
| APY | 2-AMINOMETHYL-PYRIDINE | I | 1IVP | 0.84 | |
246 | 1-benzyl-3-(2-chloropyridin-4-yl)urea | A | 2QPM | 0.73 | |
PHN | 1,10-PHENANTHROLINE | A | 1LIH | 0.75 | |
| PHN | 1,10-PHENANTHROLINE | A | 2LIG | 0.75 | |
| PHN | 1,10-PHENANTHROLINE | A,B | 2FU7 | 0.75 | |
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 | |
AUP | 2-(2-PHENYL-3-PYRIDIN-2-YL-4,5,6,7- TETRAHYDRO-2H-ISOPHOSPHINDOL-1- YL)PYRIDINE | A | 2AAQ | 0.72 | |
LL1 | 3-pyridin-4-yl-1H-indazole | A | 3DNE | 0.7 | |
ISQ | ISOQUINOLINE | A | 1GDK | 0.71 | |
SCE | 3-methyl-N-(pyridin-4-ylmethyl)imidazo[1,2- a]pyrazin-8-amine | A | 2R3H | 0.72 | |
5IQ | ISOQUINOLIN-5-AMINE | A,B | 2F2T | 0.76 | |
11X | N-(pyridin-3-ylmethyl)aniline | A | 3EJ0 | 0.83 | |
3AP | 3-AMINOPYRIDINE | A | 1AEF | 0.86 | |
LG4 | 5-METHYLPYRIDIN-2-AMINE | A | 2EUP | 0.74 | |
2AP | 2-AMINOPYRIDINE | A | 1AEO | 0.73 | |
K27 | 4-carbamoyl-1-(3-{4-[(E)-(hydroxyimino)methyl]pyridinium- 1-yl}propyl)pyridinium | A,B | 2WHR | 0.72 | |
HBP | 1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIME | A,B | 2GYV | 0.79 | |
| HBP | 1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIME | A,B | 2JF0 | 0.79 | |
460 | 2-[5-(6-METHYLPYRIDIN-2-YL)-2,3- DIHYDRO-1H-PYRAZOL-4-YL]-1,5-NAPHTHYRIDINE | A | 1VJY | 0.76 | |
DPT | 4,7-DIMETHYL-[1,10]PHENANTHROLINE | A,B | 1I53 | 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 | |
MIL | MILRINONE | A,B | 1TLM | 0.73 | |
QMS | N-(QUINOLIN-8-YL)METHANESULFONAMIDE | A | 2BB7 | 0.73 | |
HDU | N-[4-(2-METHYLIMIDAZO[1,2-A]PYRIDIN- 3-YL)-2-PYRIMIDINYL]ACETAMIDE | A | 1OIQ | 0.72 | |
9DA | 9-DEAZAADENINE | A | 1L1R | 0.72 | |
| 9DA | 9-DEAZAADENINE | A | 1L1Q | 0.72 | |
286 | 2-ethenyl-1-methylpyridinium | X | 2RC2 | 0.81 | |
JNF | N-cyclohexyl-4-imidazo[1,2-a]pyridin- 3-yl-N-methylpyrimidin-2-amine | A | 3CGF | 0.72 | |
PY2 | 3-(MERCAPTOMETHYLENE)PYRIDINE | A,B | 1IDA | 0.73 | |
793 | 3-{[(1R)-1-phenylethyl]amino}-4- (pyridin-4-ylamino)cyclobut-3-ene- 1,2-dione | A | 3FPM | 0.72 | |
BVF | 4-METHYLPYRIDIN-2-AMINE | A,B | 3E67 | 0.75 | |
| BVF | 4-METHYLPYRIDIN-2-AMINE | A | 2EUT | 0.75 | |
275 | 5-amino-1,2-dimethylpyridinium | X | 2RBW | 0.88 | |
D4G | A,B,C,D | 2FDY | 0.8 | | |
8IP | N~3~-(3-PYRIDIN-3-YLBENZYL)PYRIDINE- 2,3-DIAMINE | A | 2OHR | 0.75 | |
FPH | 3-(4-FLUOROPHENYL)-2-PYRIDIN-4- YL-1H-PYRROLO[3,2-B]PYRIDIN-1-OL | A | 1OZ1 | 0.72 | |
1CM | (2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDE | A | 2CI0 | 0.73 | |
NTN | ISONICOTINAMIDINE | A | 7ADH | 0.77 | |
PYS | 2-PYRIDINETHIOL | A,B | 1CTE | 0.74 | |
| PYS | 2-PYRIDINETHIOL | A | 2IPP | 0.74 | |
CM9 | CIS-4-METHYL-N-[(1S)-3-(METHYLSULFANYL)- 1-(PYRIDIN-4-YLCARBAMOYL)PROPYL]CYCLOHEXANECARBOXAMIDE | A | 2W09 | 0.7 | |
PPX | [PHENYLALANINYL-PROLINYL]-[2-(PYRIDIN- 4-YLAMINO)-ETHYL]-AMINE | E,H | 1QBV | 0.72 | |
4AP | 4-AMINOPYRIDINE | A | 1AEG | 0.86 | |
NPM | N-[(1E)-PYRIDIN-2-YLMETHYLENE]- N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE | A,B | 2ET0 | 0.74 | |
Y27 | (R)-TRANS-4-(1-AMINOETHYL)-N-(4- PYRIDYL) CYCLOHEXANECARBOXAMIDE | A | 2GNF | 0.75 | |
| Y27 | (R)-TRANS-4-(1-AMINOETHYL)-N-(4- PYRIDYL) CYCLOHEXANECARBOXAMIDE | A | 2H9V | 0.75 | |
| Y27 | (R)-TRANS-4-(1-AMINOETHYL)-N-(4- PYRIDYL) CYCLOHEXANECARBOXAMIDE | A,B | 2ETR | 0.75 | |
| Y27 | (R)-TRANS-4-(1-AMINOETHYL)-N-(4- PYRIDYL) CYCLOHEXANECARBOXAMIDE | A | 2GNJ | 0.75 | |
| Y27 | (R)-TRANS-4-(1-AMINOETHYL)-N-(4- PYRIDYL) CYCLOHEXANECARBOXAMIDE | A | 1Q8T | 0.75 | |
278 | 1-(1-methyl-1H-pyrrol-2-yl)methanamine | X | 2RBV | 0.78 | |
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 | |
DA1 | PYRIDINE-2,5-DIAMINE | A | 2AQD | 0.83 | |
CII | N-[(1S)-2-methyl-1-(pyridin-4-ylcarbamoyl)propyl]cyclohexanecarboxamide | A | 2W0A | 0.74 | |
245 | 1-(2-chloropyridin-4-yl)-3-phenylurea | A | 2QKN | 0.77 | |
3MP | 3-METHYLPYRIDINE | A | 1EUB | 0.76 | |
| 3MP | 3-METHYLPYRIDINE | A | 1BM6 | 0.76 | |
XMK | 1-[[(1E)-2-(4-CHLOROPHENYL)ETHENYL]SULFONYL]- 4-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINE | A | 1IQM | 0.7 | |
SPY | 4-HYDROSULFONYLPYRIDINE | A,B | 1IDB | 0.73 | |
OBI | 1,1'-(OXYDIMETHYLENE)BIS(4-FORMYLPYRIDINIUM)DIOXIME | A,B | 2GYW | 0.76 | |
CLQ | N4-(7-CHLORO-QUINOLIN-4-YL)-N1,N1- DIETHYL-PENTANE-1,4-DIAMINE | A | 1CET | 0.7 | |
I11 | [[CYCLOHEXANESULFONYL-GLYCYL]-3[PYRIDIN- 4-YL-AMINOMETHYL]ALANYL]PIPERIDINE | H | 1UVS | 0.72 | |