Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02136761
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 |
HI6![]() | 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]PYRIDINIUM | A,B | 2WHQ | 0.75 | ![]() |
HI6![]() | 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]PYRIDINIUM | A,B | 2WHP | 0.75 | ![]() |
HI6![]() | 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]PYRIDINIUM | A,B | 2GYU | 0.75 | ![]() |
PBO![]() | 1-PYRIDIN-3-YLBUTAN-1-ONE | A | 1PYJ | 0.71 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 2E5D | 0.74 | ![]() |
NCA![]() | NICOTINAMIDE | A,B,C,D | 2Z77 | 0.74 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 1DMA | 0.74 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 1ISM | 0.74 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 1YC5 | 0.74 | ![]() |
NCA![]() | NICOTINAMIDE | A | 2ZB7 | 0.74 | ![]() |
NCA![]() | NICOTINAMIDE | A,B,C,D,E,F, G,H | 1R15 | 0.74 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 2QQG | 0.74 | ![]() |
NCA![]() | NICOTINAMIDE | A | 2OTV | 0.74 | ![]() |
NCA![]() | NICOTINAMIDE | A | 2QHF | 0.74 | ![]() |
NCA![]() | NICOTINAMIDE | A,B,C,D | 2C8A | 0.74 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 2HJH | 0.74 | ![]() |
NCA![]() | NICOTINAMIDE | A | 2A15 | 0.74 | ![]() |
NCA![]() | NICOTINAMIDE | A | 2R6V | 0.74 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 1ISI | 0.74 | ![]() |
NCA![]() | NICOTINAMIDE | A,D,E | 2R9J | 0.74 | ![]() |
NCA![]() | NICOTINAMIDE | A | 2H4J | 0.74 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 2OD9 | 0.74 | ![]() |
NCA![]() | NICOTINAMIDE | A,B,C,D,E | 1YC2 | 0.74 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 3DZG | 0.74 | ![]() |
NCA![]() | NICOTINAMIDE | A | 1OJU | 0.74 | ![]() |
PAA![]() | (N-METHYLPYRIDYL)ACETIC ACID | I | 1HBT | 0.71 | ![]() |
K27![]() | 4-carbamoyl-1-(3-{4-[(E)-(hydroxyimino)methyl]pyridinium- 1-yl}propyl)pyridinium | A,B | 2WHR | 0.75 | ![]() |
BRT![]() | 5-BROMONICOTINAMIDE | A,B | 1GXZ | 0.77 | ![]() |
MIL![]() | MILRINONE | A,B | 1TLM | 0.74 | ![]() |
ISZ![]() | 4-(DIAZENYLCARBONYL)PYRIDINE | A,B,C,D | 1W6F | 0.78 | ![]() |
ISZ![]() | 4-(DIAZENYLCARBONYL)PYRIDINE | A | 2V2E | 0.78 | ![]() |
ISZ![]() | 4-(DIAZENYLCARBONYL)PYRIDINE | X | 2VCF | 0.78 | ![]() |
ISZ![]() | 4-(DIAZENYLCARBONYL)PYRIDINE | A | 2VCS | 0.78 | ![]() |
ISZ![]() | 4-(DIAZENYLCARBONYL)PYRIDINE | A | 2VCN | 0.78 | ![]() |
ISZ![]() | 4-(DIAZENYLCARBONYL)PYRIDINE | A,B | 1XR3 | 0.78 | ![]() |
PRR![]() | 3-(METHYL-PYRIDINIUM)ALANINE | H,I,J | 7KME | 0.7 | ![]() |
NA9![]() | N-(CARBOXYMETHYL)-3-CYCLOHEXYL- D-ALANYL-N-({6-[AMINO(IMINO)METHYL]PYRIDIN- 3-YL}METHYL)-N~2~-METHYL-L-ALANINAMIDE | H,P | 2A2X | 0.7 | ![]() |
SX2![]() | 4-[(5-bromopyridin-2-yl)amino]- 4-oxobutanoic acid | A,B | 3CJ0 | 0.73 | ![]() |
GPI![]() | (2S)-[3-PYRIDYL-1-PROPYL]-1-[3,3- DIMETHYL-1,2-DIOXOPENTYL]-2-PYRROLIDINECARBOXYLATE | A | 1F40 | 0.72 | ![]() |
TIT![]() | N-((3S,4S)-5-[(4-BROMOBENZYL)OXY]- 3-HYDROXY-4-{[N-(PYRIDIN-2-YLCARBONYL)- L-VALYL]AMINO}PENTANOYL)-L-ALANYL- L-LEUCINAMIDE | A,B | 1W6H | 0.7 | ![]() |
OPN![]() | {(2-AMINO-ETHYL)-[2-(2-OXO-1,2- DIHYDRO-[1,8]NAPHTHYRIDIN-3-YL)- ACETYL]-AMINO}-ACETIC ACID | A,B,C,D | 1HZS | 0.71 | ![]() |
DGB![]() | N-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]- 3-PYRIDIN-3-YLPROPANAMIDE | A,B | 2G97 | 0.74 | ![]() |
DGB![]() | N-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]- 3-PYRIDIN-3-YLPROPANAMIDE | A,B | 2GVJ | 0.74 | ![]() |
HLO![]() | 1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM | A,B | 2JEY | 0.74 | ![]() |
HLO![]() | 1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM | A,B | 2JEZ | 0.74 | ![]() |
NA3![]() | (3S)-3-{[(5-BROMOPYRIDIN-3-YL)CARBONYL]AMINO}- 4-OXOBUTANOIC ACID | A | 1RE1 | 0.79 | ![]() |