Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02187694
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 |
PXL | 3-HYDROXY-5-(HYDROXYMETHYL)-2-METHYLISONICOTINALDEHYDE | A,B | 3FHX | 0.7 | |
PXL | 3-HYDROXY-5-(HYDROXYMETHYL)-2-METHYLISONICOTINALDEHYDE | A,B | 2DDW | 0.7 | |
PXL | 3-HYDROXY-5-(HYDROXYMETHYL)-2-METHYLISONICOTINALDEHYDE | A,B | 2Z9W | 0.7 | |
PXL | 3-HYDROXY-5-(HYDROXYMETHYL)-2-METHYLISONICOTINALDEHYDE | A,B | 2Z9X | 0.7 | |
PXL | 3-HYDROXY-5-(HYDROXYMETHYL)-2-METHYLISONICOTINALDEHYDE | A,B | 1TD2 | 0.7 | |
RIS | 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID | A | 1YV5 | 0.73 | |
RIS | 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID | A,B | 1RQJ | 0.73 | |
RIS | 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID | A | 1YQ7 | 0.73 | |
RIS | 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID | A | 1YHL | 0.73 | |
RIS | 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID | A | 2QIS | 0.73 | |
RIS | 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID | A,B | 2O1O | 0.73 | |
HLO | 1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM | A,B | 2JEY | 0.71 | |
HLO | 1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM | A,B | 2JEZ | 0.71 | |
INO | 2-HYDROXYISONICOTINIC ACID N-OXIDE | M,N,O,P,Q,R | 3PCL | 0.81 | |
INO | 2-HYDROXYISONICOTINIC ACID N-OXIDE | M,N,O,P,Q,R | 3PCJ | 0.81 | |
NIX | NALIDIXIC ACID | A,B | 2BQ2 | 0.71 | |
PAA | (N-METHYLPYRIDYL)ACETIC ACID | I | 1HBT | 0.87 | |
ISZ | 4-(DIAZENYLCARBONYL)PYRIDINE | A,B,C,D | 1W6F | 0.73 | |
ISZ | 4-(DIAZENYLCARBONYL)PYRIDINE | A | 2V2E | 0.73 | |
ISZ | 4-(DIAZENYLCARBONYL)PYRIDINE | X | 2VCF | 0.73 | |
ISZ | 4-(DIAZENYLCARBONYL)PYRIDINE | A | 2VCS | 0.73 | |
ISZ | 4-(DIAZENYLCARBONYL)PYRIDINE | A | 2VCN | 0.73 | |
ISZ | 4-(DIAZENYLCARBONYL)PYRIDINE | A,B | 1XR3 | 0.73 | |
NA4 | 4-[5-(2-CARBOXY-1-FORMYL-ETHYLCARBAMOYL)- PYRIDIN-3-YL]-BENZOIC ACID | A,C | 1RHM | 0.73 | |
3HM | 5-hydroxy-6-methylpyridine-3-carboxylic acid | A,B | 3GMC | 0.8 | |
PYC | PYRROLE-2-CARBOXYLATE | A | 1W62 | 0.72 | |
PYC | PYRROLE-2-CARBOXYLATE | A,B | 1L9D | 0.72 | |
PYC | PYRROLE-2-CARBOXYLATE | A,B | 2CWH | 0.72 | |
PYC | PYRROLE-2-CARBOXYLATE | A,B | 1W61 | 0.72 | |
PYC | PYRROLE-2-CARBOXYLATE | A,B | 1ELI | 0.72 | |
PYU | 2-(1H-pyrrol-1-ylcarbonyl)benzene- 1,3,5-triol | A,B | 3EKO | 0.71 | |
BRT | 5-BROMONICOTINAMIDE | A,B | 1GXZ | 0.72 | |
K27 | 4-carbamoyl-1-(3-{4-[(E)-(hydroxyimino)methyl]pyridinium- 1-yl}propyl)pyridinium | A,B | 2WHR | 0.73 | |
ZZA | 1-PHENYL-1H-PYRAZOLE-4-CARBOXYLIC ACID | A,B,D | 2VCW | 0.7 | |
ICO | 1H-INDOLE-3-CARBOXYLIC ACID | L | 2PIP | 0.72 | |
NIO | NICOTINIC ACID | A | 1JHQ | 0.97 | |
NIO | NICOTINIC ACID | A | 1L5L | 0.97 | |
NIO | NICOTINIC ACID | A | 2F7F | 0.97 | |
NIO | NICOTINIC ACID | A | 1L5K | 0.97 | |
NIO | NICOTINIC ACID | A | 1JHY | 0.97 | |
NIO | NICOTINIC ACID | A,B | 1FSL | 0.97 | |
NIO | NICOTINIC ACID | A | 1L5M | 0.97 | |
NIO | NICOTINIC ACID | A | 1LH6 | 0.97 | |
NIO | NICOTINIC ACID | A | 1JHO | 0.97 | |
NIO | NICOTINIC ACID | A | 3CI8 | 0.97 | |
NIO | NICOTINIC ACID | A,B,C,D | 1ICU | 0.97 | |
NIO | NICOTINIC ACID | A,B,C,D,E,F, G,H | 3HRD | 0.97 | |
NIO | NICOTINIC ACID | A | 1JHA | 0.97 | |
NIO | NICOTINIC ACID | A | 1JHV | 0.97 | |
NIO | NICOTINIC ACID | A | 1L4N | 0.97 | |
NIO | NICOTINIC ACID | A | 2LH6 | 0.97 | |
NIO | NICOTINIC ACID | A | 1D0V | 0.97 | |
NIO | NICOTINIC ACID | A,B,C,D | 1ICV | 0.97 | |
NIO | NICOTINIC ACID | A,B | 1ICR | 0.97 | |
NIO | NICOTINIC ACID | A | 1JHR | 0.97 | |
368 | (1R)-2-{[AMINO(IMINO)METHYL]AMINO}- 1-{4-[(4R)-4-(HYDROXYMETHYL)-1,3,2- DIOXABOROLAN-2-YL]PHENYL}ETHYL NICOTINATE | A | 1ZLR | 0.73 | |
PBO | 1-PYRIDIN-3-YLBUTAN-1-ONE | A | 1PYJ | 0.8 | |
NFL | 2-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}NICOTINIC ACID | A | 1TD7 | 0.79 | |
PRR | 3-(METHYL-PYRIDINIUM)ALANINE | H,I,J | 7KME | 0.78 | |
PYF | 3-PYRIDINYLCARBINOL | A,B | 1R16 | 0.82 | |
NCN | NICOTINATE MONONUCLEOTIDE | A,B | 2QTN | 0.83 | |
NCN | NICOTINATE MONONUCLEOTIDE | A | 1L4F | 0.83 | |
NCN | NICOTINATE MONONUCLEOTIDE | A | 1L4L | 0.83 | |
NCN | NICOTINATE MONONUCLEOTIDE | A,B,C,D | 1YUM | 0.83 | |
NCN | NICOTINATE MONONUCLEOTIDE | A | 1L4M | 0.83 | |
NCN | NICOTINATE MONONUCLEOTIDE | A,B,C,D,E,F | 1QPN | 0.83 | |
NCN | NICOTINATE MONONUCLEOTIDE | A,B,C | 2B7Q | 0.83 | |
NCN | NICOTINATE MONONUCLEOTIDE | A | 1L4K | 0.83 | |
NCN | NICOTINATE MONONUCLEOTIDE | A | 1L4G | 0.83 | |
NCN | NICOTINATE MONONUCLEOTIDE | A | 1YTK | 0.83 | |
NCN | NICOTINATE MONONUCLEOTIDE | A | 1L4H | 0.83 | |
NCN | NICOTINATE MONONUCLEOTIDE | A | 1L5O | 0.83 | |
D3E | N-cyclopropyl-N-(trans-4-pyridin- 3-ylcyclohexyl)-4-[(1S)-2,2,2-trifluoro- 1-hydroxy-1-methylethyl]benzamide | A,B,C,D | 3D3E | 0.73 | |
NMN | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE | A | 2QSZ | 0.73 | |
NMN | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE | A | 1TA8 | 0.73 | |
NMN | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE | A | 1HYB | 0.73 | |
NMN | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE | A | 3BAA | 0.73 | |
NMN | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE | A | 3BA9 | 0.73 | |
NMN | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE | A,B | 1NUP | 0.73 | |
NMN | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE | A,B | 1NUS | 0.73 | |
NMN | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE | A,B | 1Y1P | 0.73 | |
NMN | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE | A,B,C,D,E,F | 2GVG | 0.73 | |
NMN | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE | A | 3BA8 | 0.73 | |
NMN | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE | A | 3BAB | 0.73 | |
NMN | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE | A,B | 3DZK | 0.73 | |
NMN | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE | A,B,C | 1GZU | 0.73 | |
NMN | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE | A,B | 2H3D | 0.73 | |
NMN | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE | A,B | 2G96 | 0.73 | |
NMN | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE | A | 2QG6 | 0.73 | |
NMN | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE | A,B | 1ISJ | 0.73 | |
NMN | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE | A,B | 3DZJ | 0.73 | |
NMN | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE | A,B | 2HCT | 0.73 | |
BP5 | 3-(2,2'-BIPYRIDIN-5-YL)-L-ALANINE | A | 2PXH | 0.72 | |
MYT | METYRAPONE | A | 1PHG | 0.75 | |
MYT | METYRAPONE | A | 1W0G | 0.75 | |
PY7 | PYRIDIN-4-YLMETHANOL | A | 2EUR | 0.76 | |
PYB | 4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACID | A,D,E,G,I,J | 1S32 | 0.74 | |
PYB | 4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACID | D,I,J | 1M18 | 0.74 | |
PYB | 4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACID | E,I,J | 1M1A | 0.74 | |
PYB | 4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACID | E,I,J | 1M19 | 0.74 | |
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 | 0.8 | |
NA3 | (3S)-3-{[(5-BROMOPYRIDIN-3-YL)CARBONYL]AMINO}- 4-OXOBUTANOIC ACID | A | 1RE1 | 0.71 | |
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 | |
NTM | QUINOLINIC ACID | A | 3C2O | 0.86 | |
NTM | QUINOLINIC ACID | A,B | 1QAP | 0.86 | |
NTM | QUINOLINIC ACID | A,B,C,D,E,F | 1QPQ | 0.86 | |
NTM | QUINOLINIC ACID | A,B,C | 2B7N | 0.86 | |
3MP | 3-METHYLPYRIDINE | A | 1EUB | 0.71 | |
3MP | 3-METHYLPYRIDINE | A | 1BM6 | 0.71 | |
D1G | N,N-DIMETHYL(5-(PYRIDIN-3-YL)FURAN- 2-YL)METHANAMINE | A,B,C,D | 2FDU | 0.72 | |
PMC | 3-(PHOSPHONOMETHYL)PYRIDINE-2-CARBOXYLIC ACID | A,B,C,D,E,F, G,H,I,J,K,L | 1I43 | 0.79 | |
PDC | PYRIDINE-2,6-DICARBOXYLIC ACID | A | 2PC2 | 0.72 | |
PDC | PYRIDINE-2,6-DICARBOXYLIC ACID | A,B,C,D | 1ARZ | 0.72 | |
PDC | PYRIDINE-2,6-DICARBOXYLIC ACID | A | 2PE7 | 0.72 | |
PDC | PYRIDINE-2,6-DICARBOXYLIC ACID | A | 2PES | 0.72 | |
PDC | PYRIDINE-2,6-DICARBOXYLIC ACID | A,B | 1C3V | 0.72 | |
PDC | PYRIDINE-2,6-DICARBOXYLIC ACID | A,B | 1P9L | 0.72 | |
NCA | NICOTINAMIDE | A,B | 2E5D | 0.79 | |
NCA | NICOTINAMIDE | A,B,C,D | 2Z77 | 0.79 | |
NCA | NICOTINAMIDE | A,B | 1DMA | 0.79 | |
NCA | NICOTINAMIDE | A,B | 1ISM | 0.79 | |
NCA | NICOTINAMIDE | A,B | 1YC5 | 0.79 | |
NCA | NICOTINAMIDE | A | 2ZB7 | 0.79 | |
NCA | NICOTINAMIDE | A,B,C,D,E,F, G,H | 1R15 | 0.79 | |
NCA | NICOTINAMIDE | A,B | 2QQG | 0.79 | |
NCA | NICOTINAMIDE | A | 2OTV | 0.79 | |
NCA | NICOTINAMIDE | A | 2QHF | 0.79 | |
NCA | NICOTINAMIDE | A,B,C,D | 2C8A | 0.79 | |
NCA | NICOTINAMIDE | A,B | 2HJH | 0.79 | |
NCA | NICOTINAMIDE | A | 2A15 | 0.79 | |
NCA | NICOTINAMIDE | A | 2R6V | 0.79 | |
NCA | NICOTINAMIDE | A,B | 1ISI | 0.79 | |
NCA | NICOTINAMIDE | A,D,E | 2R9J | 0.79 | |
NCA | NICOTINAMIDE | A | 2H4J | 0.79 | |
NCA | NICOTINAMIDE | A,B | 2OD9 | 0.79 | |
NCA | NICOTINAMIDE | A,B,C,D,E | 1YC2 | 0.79 | |
NCA | NICOTINAMIDE | A,B | 3DZG | 0.79 | |
NCA | NICOTINAMIDE | A | 1OJU | 0.79 | |
D3G | (5-(PYRIDIN-3-YL)FURAN-2-YL)METHANAMINE | A,B,C,D | 2FDW | 0.7 | |
NNO | 6-HYDROXYISONICOTINIC ACID N-OXIDE | M,N,O,P,Q,R | 3PCK | 0.88 | |
NNO | 6-HYDROXYISONICOTINIC ACID N-OXIDE | M,N,O,P,Q,R | 3PCM | 0.88 | |
NNR | Nicotinamide riboside | A | 2QT0 | 0.77 | |
NNR | Nicotinamide riboside | A | 2QT1 | 0.77 | |
6PC | PYRIDINE-2-CARBOXYLIC ACID | A | 2OLN | 0.81 | |
6PC | PYRIDINE-2-CARBOXYLIC ACID | A | 2OLO | 0.81 | |
PD2 | PYRIDINE-2,4-DICARBOXYLIC ACID | A,B,C | 2W2I | 0.8 | |
PD2 | PYRIDINE-2,4-DICARBOXYLIC ACID | A | 2GKL | 0.8 | |
PD2 | PYRIDINE-2,4-DICARBOXYLIC ACID | A,B | 2VD7 | 0.8 | |
PD2 | PYRIDINE-2,4-DICARBOXYLIC ACID | A,B | 2JIG | 0.8 |