Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00008320
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 |
HBP | 1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIME | A,B | 2GYV | 0.83 |  |
| HBP | 1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIME | A,B | 2JF0 | 0.83 | |
MIL | MILRINONE | A,B | 1TLM | 0.72 | |
RIS | 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID | A | 1YV5 | 0.75 | |
| RIS | 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID | A,B | 1RQJ | 0.75 | |
| RIS | 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID | A | 1YQ7 | 0.75 | |
| RIS | 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID | A | 1YHL | 0.75 | |
| RIS | 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID | A | 2QIS | 0.75 | |
| RIS | 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID | A,B | 2O1O | 0.75 | |
PY2 | 3-(MERCAPTOMETHYLENE)PYRIDINE | A,B | 1IDA | 0.86 | |
APY | 2-AMINOMETHYL-PYRIDINE | A,B,I | 1HIV | 0.85 | |
| APY | 2-AMINOMETHYL-PYRIDINE | I | 1IVP | 0.85 | |
PY7 | PYRIDIN-4-YLMETHANOL | A | 2EUR | 0.78 | |
26D | PYRIDINE-2,6-DIAMINE | A | 2ANZ | 0.75 | |
C53 | 2-IMINO-5-(1-PYRIDIN-2-YL-METH- (E)-YLIDENE)-1,3-THIAZOLIDIN-4- ONE | A | 2V0D | 0.72 | |
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 | 0.79 | |
| NCT | (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE | A | 1P2Y | 0.79 | |
| NCT | (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE | A | 1P7R | 0.79 | |
PYS | 2-PYRIDINETHIOL | A,B | 1CTE | 0.87 | |
| PYS | 2-PYRIDINETHIOL | A | 2IPP | 0.87 | |
ISZ | 4-(DIAZENYLCARBONYL)PYRIDINE | A,B,C,D | 1W6F | 0.77 | |
| ISZ | 4-(DIAZENYLCARBONYL)PYRIDINE | A | 2V2E | 0.77 | |
| ISZ | 4-(DIAZENYLCARBONYL)PYRIDINE | X | 2VCF | 0.77 | |
| ISZ | 4-(DIAZENYLCARBONYL)PYRIDINE | A | 2VCS | 0.77 | |
| ISZ | 4-(DIAZENYLCARBONYL)PYRIDINE | A | 2VCN | 0.77 | |
| ISZ | 4-(DIAZENYLCARBONYL)PYRIDINE | A,B | 1XR3 | 0.77 | |
PYF | 3-PYRIDINYLCARBINOL | A,B | 1R16 | 0.77 | |
K27 | 4-carbamoyl-1-(3-{4-[(E)-(hydroxyimino)methyl]pyridinium- 1-yl}propyl)pyridinium | A,B | 2WHR | 0.73 | |
4AP | 4-AMINOPYRIDINE | A | 1AEG | 0.82 | |
11X | N-(pyridin-3-ylmethyl)aniline | A | 3EJ0 | 0.79 | |
286 | 2-ethenyl-1-methylpyridinium | X | 2RC2 | 0.87 | |
245 | 1-(2-chloropyridin-4-yl)-3-phenylurea | A | 2QKN | 0.71 | |
ISQ | ISOQUINOLINE | A | 1GDK | 0.8 | |
1SQ | ISOQUINOLIN-1-AMINE | A | 2OHK | 0.71 | |
3MP | 3-METHYLPYRIDINE | A | 1EUB | 0.9 | |
| 3MP | 3-METHYLPYRIDINE | A | 1BM6 | 0.9 | |
275 | 5-amino-1,2-dimethylpyridinium | X | 2RBW | 0.81 | |
DA1 | PYRIDINE-2,5-DIAMINE | A | 2AQD | 0.79 | |
PAA | (N-METHYLPYRIDYL)ACETIC ACID | I | 1HBT | 0.72 | |
1BY | [2-(PYRIDIN-2-YLAMINO)ETHANE-1,1- DIYL]BIS(PHOSPHONIC ACID) | A,B | 2I19 | 0.73 | |
OBI | 1,1'-(OXYDIMETHYLENE)BIS(4-FORMYLPYRIDINIUM)DIOXIME | A,B | 2GYW | 0.82 | |
AUP | 2-(2-PHENYL-3-PYRIDIN-2-YL-4,5,6,7- TETRAHYDRO-2H-ISOPHOSPHINDOL-1- YL)PYRIDINE | A | 2AAQ | 0.71 | |
D4G | A,B,C,D | 2FDY | 0.82 | | |
MR3 | 1-METHYL-1H-PYRROLE | X | 2OU0 | 0.71 | |
1PS | 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE | A,B,C,D | 2RFQ | 0.84 | |
| 1PS | 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE | A,B,C,D,E,F | 2GA4 | 0.84 | |
| 1PS | 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE | A,B,C,D,E,F | 1R4P | 0.84 | |
2AP | 2-AMINOPYRIDINE | A | 1AEO | 0.79 | |
BVF | 4-METHYLPYRIDIN-2-AMINE | A,B | 3E67 | 0.78 | |
| BVF | 4-METHYLPYRIDIN-2-AMINE | A | 2EUT | 0.78 | |
NCA | NICOTINAMIDE | A,B | 2E5D | 0.76 | |
| NCA | NICOTINAMIDE | A,B,C,D | 2Z77 | 0.76 | |
| NCA | NICOTINAMIDE | A,B | 1DMA | 0.76 | |
| NCA | NICOTINAMIDE | A,B | 1ISM | 0.76 | |
| NCA | NICOTINAMIDE | A,B | 1YC5 | 0.76 | |
| NCA | NICOTINAMIDE | A | 2ZB7 | 0.76 | |
| NCA | NICOTINAMIDE | A,B,C,D,E,F, G,H | 1R15 | 0.76 | |
| NCA | NICOTINAMIDE | A,B | 2QQG | 0.76 | |
| NCA | NICOTINAMIDE | A | 2OTV | 0.76 | |
| NCA | NICOTINAMIDE | A | 2QHF | 0.76 | |
| NCA | NICOTINAMIDE | A,B,C,D | 2C8A | 0.76 | |
| NCA | NICOTINAMIDE | A,B | 2HJH | 0.76 | |
| NCA | NICOTINAMIDE | A | 2A15 | 0.76 | |
| NCA | NICOTINAMIDE | A | 2R6V | 0.76 | |
| NCA | NICOTINAMIDE | A,B | 1ISI | 0.76 | |
| NCA | NICOTINAMIDE | A,D,E | 2R9J | 0.76 | |
| NCA | NICOTINAMIDE | A | 2H4J | 0.76 | |
| NCA | NICOTINAMIDE | A,B | 2OD9 | 0.76 | |
| NCA | NICOTINAMIDE | A,B,C,D,E | 1YC2 | 0.76 | |
| NCA | NICOTINAMIDE | A,B | 3DZG | 0.76 | |
| NCA | NICOTINAMIDE | A | 1OJU | 0.76 | |
SB9 | HYDROXY[3-(6-METHYLPYRIDIN-2-YL)PROPYL]FORMAMIDE | P | 2AIE | 0.77 | |
SPY | 4-HYDROSULFONYLPYRIDINE | A,B | 1IDB | 0.85 | |
5IQ | ISOQUINOLIN-5-AMINE | A,B | 2F2T | 0.74 | |
PBO | 1-PYRIDIN-3-YLBUTAN-1-ONE | A | 1PYJ | 0.74 | |
3AP | 3-AMINOPYRIDINE | A | 1AEF | 0.82 | |
NI9 | 3-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM | A | 2OPM | 0.79 | |
| NI9 | 3-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM | A,B | 3DYF | 0.79 | |
| NI9 | 3-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM | A,B | 3DYG | 0.79 | |
LG4 | 5-METHYLPYRIDIN-2-AMINE | A | 2EUP | 0.79 | |
NTN | ISONICOTINAMIDINE | A | 7ADH | 0.85 | |
NPM | N-[(1E)-PYRIDIN-2-YLMETHYLENE]- N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE | A,B | 2ET0 | 0.72 | |
282 | 3-methoxypyridine | X | 2RBZ | 0.72 | |
278 | 1-(1-methyl-1H-pyrrol-2-yl)methanamine | X | 2RBV | 0.77 | |