Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00045292
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 |
AGE | (2E)-N-hydroxy-3-[1-methyl-4-(phenylacetyl)- 1H-pyrrol-2-yl]prop-2-enamide | A,B,C | 3F07 | 0.71 |  |
5IQ | ISOQUINOLIN-5-AMINE | A,B | 2F2T | 0.79 | |
SPY | 4-HYDROSULFONYLPYRIDINE | A,B | 1IDB | 0.71 | |
OBI | 1,1'-(OXYDIMETHYLENE)BIS(4-FORMYLPYRIDINIUM)DIOXIME | A,B | 2GYW | 0.73 | |
DA1 | PYRIDINE-2,5-DIAMINE | A | 2AQD | 0.77 | |
LL1 | 3-pyridin-4-yl-1H-indazole | A | 3DNE | 0.72 | |
LTN | L-TRYPTOPHANAMIDE | A | 1MAU | 0.71 | |
| LTN | L-TRYPTOPHANAMIDE | A,B | 2QUI | 0.71 | |
2MI | 2-METHYL-1H-INDOLE | A | 2PIO | 0.72 | |
D4G | A,B,C,D | 2FDY | 0.74 | | |
LG4 | 5-METHYLPYRIDIN-2-AMINE | A | 2EUP | 0.74 | |
2AP | 2-AMINOPYRIDINE | A | 1AEO | 0.73 | |
QMS | N-(QUINOLIN-8-YL)METHANESULFONAMIDE | A | 2BB7 | 0.7 | |
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 | 0.8 | |
| NCT | (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE | A | 1P2Y | 0.8 | |
| NCT | (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE | A | 1P7R | 0.8 | |
1PS | 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE | A,B,C,D | 2RFQ | 0.76 | |
| 1PS | 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE | A,B,C,D,E,F | 2GA4 | 0.76 | |
| 1PS | 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE | A,B,C,D,E,F | 1R4P | 0.76 | |
GG5 | 4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL- 4-YL]PYRIDINE | A | 3HVC | 0.71 | |
1CM | (2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDE | A | 2CI0 | 0.71 | |
246 | 1-benzyl-3-(2-chloropyridin-4-yl)urea | A | 2QPM | 0.7 | |
8AP | N~3~-BENZYLPYRIDINE-2,3-DIAMINE | A | 2OHM | 0.75 | |
275 | 5-amino-1,2-dimethylpyridinium | X | 2RBW | 0.85 | |
278 | 1-(1-methyl-1H-pyrrol-2-yl)methanamine | X | 2RBV | 0.87 | |
AUP | 2-(2-PHENYL-3-PYRIDIN-2-YL-4,5,6,7- TETRAHYDRO-2H-ISOPHOSPHINDOL-1- YL)PYRIDINE | A | 2AAQ | 0.74 | |
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 | |
1CI | 1-(4-CHLOROPHENYL)-1H-IMIDAZOLE | A,B,C,D,E,F,G | 2Q6N | 0.71 | |
TSH | 2-(1H-INDOL-3-YL)ETHANIMINE | D,H | 2AGY | 0.79 | |
| TSH | 2-(1H-INDOL-3-YL)ETHANIMINE | D,H | 2AH0 | 0.79 | |
| TSH | 2-(1H-INDOL-3-YL)ETHANIMINE | D,H | 2AGX | 0.79 | |
PY2 | 3-(MERCAPTOMETHYLENE)PYRIDINE | A,B | 1IDA | 0.73 | |
TSR | 2-(1H-INDOL-3-YL)ACETAMIDE | D,H | 2OJY | 0.71 | |
| TSR | 2-(1H-INDOL-3-YL)ACETAMIDE | A,D,H | 2OIZ | 0.71 | |
4AP | 4-AMINOPYRIDINE | A | 1AEG | 0.8 | |
MR3 | 1-METHYL-1H-PYRROLE | X | 2OU0 | 0.73 | |
Y27 | (R)-TRANS-4-(1-AMINOETHYL)-N-(4- PYRIDYL) CYCLOHEXANECARBOXAMIDE | A | 2GNF | 0.71 | |
| Y27 | (R)-TRANS-4-(1-AMINOETHYL)-N-(4- PYRIDYL) CYCLOHEXANECARBOXAMIDE | A | 2H9V | 0.71 | |
| Y27 | (R)-TRANS-4-(1-AMINOETHYL)-N-(4- PYRIDYL) CYCLOHEXANECARBOXAMIDE | A,B | 2ETR | 0.71 | |
| Y27 | (R)-TRANS-4-(1-AMINOETHYL)-N-(4- PYRIDYL) CYCLOHEXANECARBOXAMIDE | A | 2GNJ | 0.71 | |
| Y27 | (R)-TRANS-4-(1-AMINOETHYL)-N-(4- PYRIDYL) CYCLOHEXANECARBOXAMIDE | A | 1Q8T | 0.71 | |
P83 | 1-(9-ethyl-9H-carbazol-3-yl)-N- methylmethanamine | A,B | 2VUK | 0.72 | |
C53 | 2-IMINO-5-(1-PYRIDIN-2-YL-METH- (E)-YLIDENE)-1,3-THIAZOLIDIN-4- ONE | A | 2V0D | 0.74 | |
047 | 1-CYCLOHEXYL-N-{[1-(4-METHYLPHENYL)- 1H-INDOL-3-YL]METHYL}METHANAMINE | A,B | 2PJL | 0.76 | |
NPM | N-[(1E)-PYRIDIN-2-YLMETHYLENE]- N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE | A,B | 2ET0 | 0.75 | |
L12 | 3-(2-PYRIDIN-4-YLETHYL)-1H-INDOLE | A | 1W84 | 0.78 | |
286 | 2-ethenyl-1-methylpyridinium | X | 2RC2 | 0.84 | |
OWL | N-1H-imidazol-2-yl-N'-[4-(1H-imidazol- 2-ylamino)phenyl]benzene-1,4-diamine | A,G | 3FSI | 0.71 | |
APY | 2-AMINOMETHYL-PYRIDINE | A,B,I | 1HIV | 0.83 | |
| APY | 2-AMINOMETHYL-PYRIDINE | I | 1IVP | 0.83 | |
PPX | [PHENYLALANINYL-PROLINYL]-[2-(PYRIDIN- 4-YLAMINO)-ETHYL]-AMINE | E,H | 1QBV | 0.7 | |
NTN | ISONICOTINAMIDINE | A | 7ADH | 0.77 | |
BVF | 4-METHYLPYRIDIN-2-AMINE | A,B | 3E67 | 0.73 | |
| BVF | 4-METHYLPYRIDIN-2-AMINE | A | 2EUT | 0.73 | |
245 | 1-(2-chloropyridin-4-yl)-3-phenylurea | A | 2QKN | 0.75 | |
PYS | 2-PYRIDINETHIOL | A,B | 1CTE | 0.74 | |
| PYS | 2-PYRIDINETHIOL | A | 2IPP | 0.74 | |
6IP | 6-[2-(1H-INDOL-6-YL)ETHYL]PYRIDIN- 2-AMINE | A | 2OHP | 0.72 | |
11X | N-(pyridin-3-ylmethyl)aniline | A | 3EJ0 | 0.84 | |
MIL | MILRINONE | A,B | 1TLM | 0.71 | |
EPJ | EPIBATIDINE | A,B,C,D,E | 2BYQ | 0.73 | |
1SQ | ISOQUINOLIN-1-AMINE | A | 2OHK | 0.72 | |
NI9 | 3-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM | A | 2OPM | 0.71 | |
| NI9 | 3-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM | A,B | 3DYF | 0.71 | |
| NI9 | 3-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM | A,B | 3DYG | 0.71 | |
TSS | 2-(1H-INDOL-3-YL)ETHANAMINE | A,B,D,H | 2IUQ | 0.79 | |
| TSS | 2-(1H-INDOL-3-YL)ETHANAMINE | A,B | 2FPB | 0.79 | |
| TSS | 2-(1H-INDOL-3-YL)ETHANAMINE | D,H | 2AGW | 0.79 | |
| TSS | 2-(1H-INDOL-3-YL)ETHANAMINE | A | 2PQL | 0.79 | |
MIB | (3E)-4-(1-METHYL-1H-INDOL-3-YL)BUT- 3-EN-2-ONE | A | 1ZS5 | 0.75 | |
3MP | 3-METHYLPYRIDINE | A | 1EUB | 0.76 | |
| 3MP | 3-METHYLPYRIDINE | A | 1BM6 | 0.76 | |
ISQ | ISOQUINOLINE | A | 1GDK | 0.74 | |
IND | INDOLE | A | 1L4H | 0.79 | |
| IND | INDOLE | A,B,G | 1O7N | 0.79 | |
| IND | INDOLE | A | 185L | 0.79 | |
| IND | INDOLE | A,B | 1EG9 | 0.79 | |
| IND | INDOLE | A,B | 1UUV | 0.79 | |
| IND | INDOLE | A,C,E | 2B24 | 0.79 | |
| IND | INDOLE | A,B,C,D,E,F | 2P85 | 0.79 | |
HBP | 1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIME | A,B | 2GYV | 0.78 | |
| HBP | 1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIME | A,B | 2JF0 | 0.78 | |
RBU | A,B | 1BEX | 0.71 | | |
3AP | 3-AMINOPYRIDINE | A | 1AEF | 0.8 | |