Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01738693
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 |
3IL![]() | 3-(INDOL-3-YL) LACTATE | A | 2A7P | 0.71 | ![]() |
LG2![]() | 6-[1-(3,5,5,8,8-PENTAMETHYL-5,6,7,8- TETRAHYDRONAPHTHALEN-2-YL)CYCLOPROPYL]PYRIDINE- 3-CARBOXYLIC ACID | A,B,C,D | 1H9U | 0.72 | ![]() |
PXL![]() | 3-HYDROXY-5-(HYDROXYMETHYL)-2-METHYLISONICOTINALDEHYDE | A,B | 3FHX | 0.72 | ![]() |
PXL![]() | 3-HYDROXY-5-(HYDROXYMETHYL)-2-METHYLISONICOTINALDEHYDE | A,B | 2DDW | 0.72 | ![]() |
PXL![]() | 3-HYDROXY-5-(HYDROXYMETHYL)-2-METHYLISONICOTINALDEHYDE | A,B | 2Z9W | 0.72 | ![]() |
PXL![]() | 3-HYDROXY-5-(HYDROXYMETHYL)-2-METHYLISONICOTINALDEHYDE | A,B | 2Z9X | 0.72 | ![]() |
PXL![]() | 3-HYDROXY-5-(HYDROXYMETHYL)-2-METHYLISONICOTINALDEHYDE | A,B | 1TD2 | 0.72 | ![]() |
TRX![]() | 6-HYDROXYTRYPTOPHAN | A,B,C,I,J,L,M | 1K83 | 0.72 | ![]() |
TRX![]() | 6-HYDROXYTRYPTOPHAN | A,B,C,I,J,L, M,T | 2VUM | 0.72 | ![]() |
TRX![]() | 6-HYDROXYTRYPTOPHAN | A,B,C,I,J,L,M | 3CQZ | 0.72 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1JHQ | 0.73 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1L5L | 0.73 | ![]() |
NIO![]() | NICOTINIC ACID | A | 2F7F | 0.73 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1L5K | 0.73 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1JHY | 0.73 | ![]() |
NIO![]() | NICOTINIC ACID | A,B | 1FSL | 0.73 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1L5M | 0.73 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1LH6 | 0.73 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1JHO | 0.73 | ![]() |
NIO![]() | NICOTINIC ACID | A | 3CI8 | 0.73 | ![]() |
NIO![]() | NICOTINIC ACID | A,B,C,D | 1ICU | 0.73 | ![]() |
NIO![]() | NICOTINIC ACID | A,B,C,D,E,F, G,H | 3HRD | 0.73 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1JHA | 0.73 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1JHV | 0.73 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1L4N | 0.73 | ![]() |
NIO![]() | NICOTINIC ACID | A | 2LH6 | 0.73 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1D0V | 0.73 | ![]() |
NIO![]() | NICOTINIC ACID | A,B,C,D | 1ICV | 0.73 | ![]() |
NIO![]() | NICOTINIC ACID | A,B | 1ICR | 0.73 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1JHR | 0.73 | ![]() |
DRP![]() | 2-DEOXYRIBOFURANOSYL-PYRIDINE-5'- MONOPHOSPHATE | A,B | 1JES | 0.71 | ![]() |
NNR![]() | Nicotinamide riboside | A | 2QT0 | 0.71 | ![]() |
NNR![]() | Nicotinamide riboside | A | 2QT1 | 0.71 | ![]() |
1FR![]() | 3-[3-chloro-5-(5-{[(1S)-1-phenylethyl]amino}isoxazolo[5,4- c]pyridin-3-yl)phenyl]propan-1- ol | A | 3DB8 | 0.71 | ![]() |
4HT![]() | 4-HYDROXYTRYPTOPHAN | H,L | 1RU9 | 0.72 | ![]() |
4HT![]() | 4-HYDROXYTRYPTOPHAN | H,L | 1RUM | 0.72 | ![]() |
4HT![]() | 4-HYDROXYTRYPTOPHAN | H,L | 1RUL | 0.72 | ![]() |
4HT![]() | 4-HYDROXYTRYPTOPHAN | H,L | 1RUA | 0.72 | ![]() |
ICO![]() | 1H-INDOLE-3-CARBOXYLIC ACID | L | 2PIP | 0.7 | ![]() |
HRP![]() | 5-HYDROXY-L-TRYPTOPHAN | B | 1YIA | 0.71 | ![]() |
PMH![]() | (5-HYDROXY-4-{[(3-HYDROXYISOXAZOL- 4-YL)AMINO]METHYL}-6-METHYLPYRIDIN- 3-YL)METHYL DIHYDROGEN PHOSPHATE | A,B | 1XQL | 0.71 | ![]() |
PMH![]() | (5-HYDROXY-4-{[(3-HYDROXYISOXAZOL- 4-YL)AMINO]METHYL}-6-METHYLPYRIDIN- 3-YL)METHYL DIHYDROGEN PHOSPHATE | A,B | 1XQK | 0.71 | ![]() |
PXM![]() | 4-(AMINOMETHYL)-5-(HYDROXYMETHYL)- 2-METHYLPYRIDIN-3-OL | A | 1RFT | 0.71 | ![]() |
PXM![]() | 4-(AMINOMETHYL)-5-(HYDROXYMETHYL)- 2-METHYLPYRIDIN-3-OL | A,B | 2Z9V | 0.71 | ![]() |
HTR![]() | BETA-HYDROXYTRYPTOPHANE | A,B | 1QPA | 0.7 | ![]() |
HTR![]() | BETA-HYDROXYTRYPTOPHANE | A,B | 1B80 | 0.7 | ![]() |
HTR![]() | BETA-HYDROXYTRYPTOPHANE | A | 1ROV | 0.7 | ![]() |
3HM![]() | 5-hydroxy-6-methylpyridine-3-carboxylic acid | A,B | 3GMC | 0.74 | ![]() |
3ID![]() | 3H-INDOLE-5,6-DIOL | A | 1F9B | 0.7 | ![]() |
3ID![]() | 3H-INDOLE-5,6-DIOL | A | 1OYO | 0.7 | ![]() |
D1G![]() | N,N-DIMETHYL(5-(PYRIDIN-3-YL)FURAN- 2-YL)METHANAMINE | A,B,C,D | 2FDU | 0.75 | ![]() |
NTM![]() | QUINOLINIC ACID | A | 3C2O | 0.74 | ![]() |
NTM![]() | QUINOLINIC ACID | A,B | 1QAP | 0.74 | ![]() |
NTM![]() | QUINOLINIC ACID | A,B,C,D,E,F | 1QPQ | 0.74 | ![]() |
NTM![]() | QUINOLINIC ACID | A,B,C | 2B7N | 0.74 | ![]() |
D3G![]() | (5-(PYRIDIN-3-YL)FURAN-2-YL)METHANAMINE | A,B,C,D | 2FDW | 0.75 | ![]() |
D2G![]() | N-METHYL(5-(PYRIDIN-3-YL)FURAN- 2-YL)METHANAMINE | A,B,C,D | 2FDV | 0.73 | ![]() |
368![]() | (1R)-2-{[AMINO(IMINO)METHYL]AMINO}- 1-{4-[(4R)-4-(HYDROXYMETHYL)-1,3,2- DIOXABOROLAN-2-YL]PHENYL}ETHYL NICOTINATE | A | 1ZLR | 0.71 | ![]() |
PXG![]() | 3-[O-PHOSPHONOPYRIDOXYL]--AMINO- BENZOIC ACID | A | 1B9I | 0.71 | ![]() |
INO![]() | 2-HYDROXYISONICOTINIC ACID N-OXIDE | M,N,O,P,Q,R | 3PCL | 0.72 | ![]() |
INO![]() | 2-HYDROXYISONICOTINIC ACID N-OXIDE | M,N,O,P,Q,R | 3PCJ | 0.72 | ![]() |
HQA![]() | 3-(8-hydroxyquinolin-3-yl)-L-alanine | A,B | 3FCA | 0.7 | ![]() |
NCN![]() | NICOTINATE MONONUCLEOTIDE | A,B | 2QTN | 0.71 | ![]() |
NCN![]() | NICOTINATE MONONUCLEOTIDE | A | 1L4F | 0.71 | ![]() |
NCN![]() | NICOTINATE MONONUCLEOTIDE | A | 1L4L | 0.71 | ![]() |
NCN![]() | NICOTINATE MONONUCLEOTIDE | A,B,C,D | 1YUM | 0.71 | ![]() |
NCN![]() | NICOTINATE MONONUCLEOTIDE | A | 1L4M | 0.71 | ![]() |
NCN![]() | NICOTINATE MONONUCLEOTIDE | A,B,C,D,E,F | 1QPN | 0.71 | ![]() |
NCN![]() | NICOTINATE MONONUCLEOTIDE | A,B,C | 2B7Q | 0.71 | ![]() |
NCN![]() | NICOTINATE MONONUCLEOTIDE | A | 1L4K | 0.71 | ![]() |
NCN![]() | NICOTINATE MONONUCLEOTIDE | A | 1L4G | 0.71 | ![]() |
NCN![]() | NICOTINATE MONONUCLEOTIDE | A | 1YTK | 0.71 | ![]() |
NCN![]() | NICOTINATE MONONUCLEOTIDE | A | 1L4H | 0.71 | ![]() |
NCN![]() | NICOTINATE MONONUCLEOTIDE | A | 1L5O | 0.71 | ![]() |
ARH![]() | 3-(HYDROXYMETHYL)-1-METHYL-5-(2- METHYLAZIRIDIN-1-YL)-2-PHENYL-1H- INDOLE-4,7-DIONE | A,B,C,D | 1H69 | 0.7 | ![]() |
NNO![]() | 6-HYDROXYISONICOTINIC ACID N-OXIDE | M,N,O,P,Q,R | 3PCK | 0.76 | ![]() |
NNO![]() | 6-HYDROXYISONICOTINIC ACID N-OXIDE | M,N,O,P,Q,R | 3PCM | 0.76 | ![]() |
859![]() | 2-({2-[(3-HYDROXYPHENYL)AMINO]PYRIMIDIN- 4-YL}AMINO)BENZAMIDE | A,B | 2NO3 | 0.7 | ![]() |
NOP![]() | PYRIDOXAL-5'-PHOSPHATE-N-OXIDE | A | 1ASE | 0.71 | ![]() |
PYU![]() | 2-(1H-pyrrol-1-ylcarbonyl)benzene- 1,3,5-triol | A,B | 3EKO | 0.72 | ![]() |