Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02805216
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 |
NTN | ISONICOTINAMIDINE | A | 7ADH | 0.79 | |
L12 | 3-(2-PYRIDIN-4-YLETHYL)-1H-INDOLE | A | 1W84 | 0.71 | |
278 | 1-(1-methyl-1H-pyrrol-2-yl)methanamine | X | 2RBV | 0.8 | |
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 | |
LG4 | 5-METHYLPYRIDIN-2-AMINE | A | 2EUP | 0.75 | |
5IQ | ISOQUINOLIN-5-AMINE | A,B | 2F2T | 0.76 | |
D4G | A,B,C,D | 2FDY | 0.74 | ||
8AP | N~3~-BENZYLPYRIDINE-2,3-DIAMINE | A | 2OHM | 0.77 | |
11X | N-(pyridin-3-ylmethyl)aniline | A | 3EJ0 | 0.81 | |
C53 | 2-IMINO-5-(1-PYRIDIN-2-YL-METH- (E)-YLIDENE)-1,3-THIAZOLIDIN-4- ONE | A | 2V0D | 0.73 | |
DPT | 4,7-DIMETHYL-[1,10]PHENANTHROLINE | A,B | 1I53 | 0.74 | |
PYS | 2-PYRIDINETHIOL | A,B | 1CTE | 0.76 | |
PYS | 2-PYRIDINETHIOL | A | 2IPP | 0.76 | |
4AP | 4-AMINOPYRIDINE | A | 1AEG | 0.82 | |
PY2 | 3-(MERCAPTOMETHYLENE)PYRIDINE | A,B | 1IDA | 0.75 | |
DA1 | PYRIDINE-2,5-DIAMINE | A | 2AQD | 0.85 | |
275 | 5-amino-1,2-dimethylpyridinium | X | 2RBW | 0.92 | |
SB9 | HYDROXY[3-(6-METHYLPYRIDIN-2-YL)PROPYL]FORMAMIDE | P | 2AIE | 0.71 | |
3AP | 3-AMINOPYRIDINE | A | 1AEF | 0.89 | |
MIL | MILRINONE | A,B | 1TLM | 0.75 | |
QMS | N-(QUINOLIN-8-YL)METHANESULFONAMIDE | A | 2BB7 | 0.75 | |
1PS | 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE | A,B,C,D | 2RFQ | 0.72 | |
1PS | 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE | A,B,C,D,E,F | 2GA4 | 0.72 | |
1PS | 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE | A,B,C,D,E,F | 1R4P | 0.72 | |
286 | 2-ethenyl-1-methylpyridinium | X | 2RC2 | 0.84 | |
ISQ | ISOQUINOLINE | A | 1GDK | 0.72 | |
NPM | N-[(1E)-PYRIDIN-2-YLMETHYLENE]- N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE | A,B | 2ET0 | 0.73 | |
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 | |
APY | 2-AMINOMETHYL-PYRIDINE | A,B,I | 1HIV | 0.9 | |
APY | 2-AMINOMETHYL-PYRIDINE | I | 1IVP | 0.9 | |
AUP | 2-(2-PHENYL-3-PYRIDIN-2-YL-4,5,6,7- TETRAHYDRO-2H-ISOPHOSPHINDOL-1- YL)PYRIDINE | A | 2AAQ | 0.71 | |
460 | 2-[5-(6-METHYLPYRIDIN-2-YL)-2,3- DIHYDRO-1H-PYRAZOL-4-YL]-1,5-NAPHTHYRIDINE | A | 1VJY | 0.74 | |
BVF | 4-METHYLPYRIDIN-2-AMINE | A,B | 3E67 | 0.74 | |
BVF | 4-METHYLPYRIDIN-2-AMINE | A | 2EUT | 0.74 | |
9DA | 9-DEAZAADENINE | A | 1L1R | 0.71 | |
9DA | 9-DEAZAADENINE | A | 1L1Q | 0.71 | |
245 | 1-(2-chloropyridin-4-yl)-3-phenylurea | A | 2QKN | 0.72 | |
HBP | 1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIME | A,B | 2GYV | 0.77 | |
HBP | 1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIME | A,B | 2JF0 | 0.77 | |
SPY | 4-HYDROSULFONYLPYRIDINE | A,B | 1IDB | 0.73 | |
2AP | 2-AMINOPYRIDINE | A | 1AEO | 0.76 | |
26D | PYRIDINE-2,6-DIAMINE | A | 2ANZ | 0.71 | |
3MP | 3-METHYLPYRIDINE | A | 1EUB | 0.79 | |
3MP | 3-METHYLPYRIDINE | A | 1BM6 | 0.79 | |
8IP | N~3~-(3-PYRIDIN-3-YLBENZYL)PYRIDINE- 2,3-DIAMINE | A | 2OHR | 0.72 | |
IND | INDOLE | A | 1L4H | 0.71 | |
IND | INDOLE | A,B,G | 1O7N | 0.71 | |
IND | INDOLE | A | 185L | 0.71 | |
IND | INDOLE | A,B | 1EG9 | 0.71 | |
IND | INDOLE | A,B | 1UUV | 0.71 | |
IND | INDOLE | A,C,E | 2B24 | 0.71 | |
IND | INDOLE | A,B,C,D,E,F | 2P85 | 0.71 |