Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02370749
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 |
LG4 | 5-METHYLPYRIDIN-2-AMINE | A | 2EUP | 0.73 |  |
PY7 | PYRIDIN-4-YLMETHANOL | A | 2EUR | 0.72 | |
OBI | 1,1'-(OXYDIMETHYLENE)BIS(4-FORMYLPYRIDINIUM)DIOXIME | A,B | 2GYW | 0.75 | |
D4G | A,B,C,D | 2FDY | 0.75 | | |
QYT | (5E)-5-(QUINOXALIN-6-YLMETHYLENE)- 1,3-THIAZOLIDINE-2,4-DIONE | A | 2A5U | 0.71 | |
PBO | 1-PYRIDIN-3-YLBUTAN-1-ONE | A | 1PYJ | 0.76 | |
MIL | MILRINONE | A,B | 1TLM | 0.78 | |
RIS | 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID | A | 1YV5 | 0.7 | |
| RIS | 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID | A,B | 1RQJ | 0.7 | |
| RIS | 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID | A | 1YQ7 | 0.7 | |
| RIS | 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID | A | 1YHL | 0.7 | |
| RIS | 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID | A | 2QIS | 0.7 | |
| RIS | 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID | A,B | 2O1O | 0.7 | |
K27 | 4-carbamoyl-1-(3-{4-[(E)-(hydroxyimino)methyl]pyridinium- 1-yl}propyl)pyridinium | A,B | 2WHR | 0.75 | |
C53 | 2-IMINO-5-(1-PYRIDIN-2-YL-METH- (E)-YLIDENE)-1,3-THIAZOLIDIN-4- ONE | A | 2V0D | 0.75 | |
APY | 2-AMINOMETHYL-PYRIDINE | A,B,I | 1HIV | 0.72 | |
| APY | 2-AMINOMETHYL-PYRIDINE | I | 1IVP | 0.72 | |
PYS | 2-PYRIDINETHIOL | A,B | 1CTE | 0.76 | |
| PYS | 2-PYRIDINETHIOL | A | 2IPP | 0.76 | |
TH4 | {(2Z)-3-[(6-chloropyridin-3-yl)methyl]- 1,3-thiazolidin-2-ylidene}cyanamide | A,B,C,D,E | 3C84 | 0.76 | |
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 | |
3MP | 3-METHYLPYRIDINE | A | 1EUB | 0.8 | |
| 3MP | 3-METHYLPYRIDINE | A | 1BM6 | 0.8 | |
286 | 2-ethenyl-1-methylpyridinium | X | 2RC2 | 0.74 | |
U73 | N-(5-ISOPROPYL-THIAZOL-2-YL)-2- PYRIDIN-3-YL-ACETAMIDE | A | 2BTR | 0.86 | |
NTN | ISONICOTINAMIDINE | A | 7ADH | 0.77 | |
HLO | 1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM | A,B | 2JEY | 0.7 | |
| HLO | 1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM | A,B | 2JEZ | 0.7 | |
11X | N-(pyridin-3-ylmethyl)aniline | A | 3EJ0 | 0.73 | |
5IQ | ISOQUINOLIN-5-AMINE | A,B | 2F2T | 0.7 | |
BVF | 4-METHYLPYRIDIN-2-AMINE | A,B | 3E67 | 0.74 | |
| BVF | 4-METHYLPYRIDIN-2-AMINE | A | 2EUT | 0.74 | |
1PS | 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE | A,B,C,D | 2RFQ | 0.78 | |
| 1PS | 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE | A,B,C,D,E,F | 2GA4 | 0.78 | |
| 1PS | 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE | A,B,C,D,E,F | 1R4P | 0.78 | |
MYT | METYRAPONE | A | 1PHG | 0.72 | |
| MYT | METYRAPONE | A | 1W0G | 0.72 | |
HI6 | 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]PYRIDINIUM | A,B | 2WHQ | 0.71 | |
| HI6 | 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]PYRIDINIUM | A,B | 2WHP | 0.71 | |
| HI6 | 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]PYRIDINIUM | A,B | 2GYU | 0.71 | |
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 | |
PAA | (N-METHYLPYRIDYL)ACETIC ACID | I | 1HBT | 0.74 | |
PY2 | 3-(MERCAPTOMETHYLENE)PYRIDINE | A,B | 1IDA | 0.82 | |
ISZ | 4-(DIAZENYLCARBONYL)PYRIDINE | A,B,C,D | 1W6F | 0.79 | |
| ISZ | 4-(DIAZENYLCARBONYL)PYRIDINE | A | 2V2E | 0.79 | |
| ISZ | 4-(DIAZENYLCARBONYL)PYRIDINE | X | 2VCF | 0.79 | |
| ISZ | 4-(DIAZENYLCARBONYL)PYRIDINE | A | 2VCS | 0.79 | |
| ISZ | 4-(DIAZENYLCARBONYL)PYRIDINE | A | 2VCN | 0.79 | |
| ISZ | 4-(DIAZENYLCARBONYL)PYRIDINE | A,B | 1XR3 | 0.79 | |
SPY | 4-HYDROSULFONYLPYRIDINE | A,B | 1IDB | 0.73 | |
CM9 | CIS-4-METHYL-N-[(1S)-3-(METHYLSULFANYL)- 1-(PYRIDIN-4-YLCARBAMOYL)PROPYL]CYCLOHEXANECARBOXAMIDE | A | 2W09 | 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 | 0.78 | |
| NCT | (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE | A | 1P2Y | 0.78 | |
| NCT | (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE | A | 1P7R | 0.78 | |
ESP | THIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINE | B | 1C5Y | 0.74 | |
| ESP | THIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINE | A | 1C5U | 0.74 | |
| ESP | THIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINE | A | 1C5T | 0.74 | |
ISQ | ISOQUINOLINE | A | 1GDK | 0.73 | |
1CM | (2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDE | A | 2CI0 | 0.72 | |