Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01739364
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 |
218 | 1-[(4-AMINO-2-METHYLPYRIMIDIN-5- YL)METHYL]-3-(2-HYDROXYETHYL)-2- METHYLPYRIDINIUM | A | 2HOP | 0.72 | |
IMQ | (2R,3R,4S)-2-(hydroxymethyl)-1- (quinolin-8-ylmethyl)pyrrolidine- 3,4-diol | A,B | 3EPX | 0.71 | |
OBI | 1,1'-(OXYDIMETHYLENE)BIS(4-FORMYLPYRIDINIUM)DIOXIME | A,B | 2GYW | 0.74 | |
PAA | (N-METHYLPYRIDYL)ACETIC ACID | I | 1HBT | 0.76 | |
11X | N-(pyridin-3-ylmethyl)aniline | A | 3EJ0 | 0.71 | |
EPJ | EPIBATIDINE | A,B,C,D,E | 2BYQ | 0.71 | |
286 | 2-ethenyl-1-methylpyridinium | X | 2RC2 | 0.71 | |
PY2 | 3-(MERCAPTOMETHYLENE)PYRIDINE | A,B | 1IDA | 0.73 | |
11P | [(7R)-6,7-dihydro-5H-cyclopenta[c]pyridin- 7-yl(hydroxy)methylene]bis(phosphonic acid) | A | 2RAH | 0.77 | |
364 | 3-BIPHENYL-3-YL-1-(2-HYDROXY-2,2- DIPHOSPHONOETHYL)PYRIDINIUM | A,B | 2E94 | 0.7 | |
NTN | ISONICOTINAMIDINE | A | 7ADH | 0.72 | |
PBO | 1-PYRIDIN-3-YLBUTAN-1-ONE | A | 1PYJ | 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 | 0.74 | |
NCT | (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE | A | 1P2Y | 0.74 | |
NCT | (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE | A | 1P7R | 0.74 | |
PRR | 3-(METHYL-PYRIDINIUM)ALANINE | H,I,J | 7KME | 0.72 | |
RIS | 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID | A | 1YV5 | 0.82 | |
RIS | 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID | A,B | 1RQJ | 0.82 | |
RIS | 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID | A | 1YQ7 | 0.82 | |
RIS | 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID | A | 1YHL | 0.82 | |
RIS | 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID | A | 2QIS | 0.82 | |
RIS | 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID | A,B | 2O1O | 0.82 | |
DRP | 2-DEOXYRIBOFURANOSYL-PYRIDINE-5'- MONOPHOSPHATE | A,B | 1JES | 0.74 | |
3MP | 3-METHYLPYRIDINE | A | 1EUB | 0.76 | |
3MP | 3-METHYLPYRIDINE | A | 1BM6 | 0.76 | |
PY7 | PYRIDIN-4-YLMETHANOL | A | 2EUR | 0.83 | |
ISQ | ISOQUINOLINE | A | 1GDK | 0.74 | |
TSC | (1S)-1-AMINO-2-(1H-INDOL-3-YL)ETHANOL | D,H | 2AH0 | 0.7 | |
TSC | (1S)-1-AMINO-2-(1H-INDOL-3-YL)ETHANOL | D,H | 2AGZ | 0.7 | |
PYF | 3-PYRIDINYLCARBINOL | A,B | 1R16 | 0.81 |