Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02388468
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 | ![]() |
11P![]() | [(7R)-6,7-dihydro-5H-cyclopenta[c]pyridin- 7-yl(hydroxy)methylene]bis(phosphonic acid) | A | 2RAH | 0.73 | ![]() |
6PC![]() | PYRIDINE-2-CARBOXYLIC ACID | A | 2OLN | 0.74 | ![]() |
6PC![]() | PYRIDINE-2-CARBOXYLIC ACID | A | 2OLO | 0.74 | ![]() |
NNO![]() | 6-HYDROXYISONICOTINIC ACID N-OXIDE | M,N,O,P,Q,R | 3PCK | 0.74 | ![]() |
NNO![]() | 6-HYDROXYISONICOTINIC ACID N-OXIDE | M,N,O,P,Q,R | 3PCM | 0.74 | ![]() |
INO![]() | 2-HYDROXYISONICOTINIC ACID N-OXIDE | M,N,O,P,Q,R | 3PCL | 0.79 | ![]() |
INO![]() | 2-HYDROXYISONICOTINIC ACID N-OXIDE | M,N,O,P,Q,R | 3PCJ | 0.79 | ![]() |
OBI![]() | 1,1'-(OXYDIMETHYLENE)BIS(4-FORMYLPYRIDINIUM)DIOXIME | A,B | 2GYW | 0.74 | ![]() |
PLR![]() | (5-HYDROXY-4,6-DIMETHYLPYRIDIN- 3-YL)METHYL DIHYDROGEN PHOSPHATE | A,B | 3GZC | 0.7 | ![]() |
PLR![]() | (5-HYDROXY-4,6-DIMETHYLPYRIDIN- 3-YL)METHYL DIHYDROGEN PHOSPHATE | A | 2GJ4 | 0.7 | ![]() |
PLR![]() | (5-HYDROXY-4,6-DIMETHYLPYRIDIN- 3-YL)METHYL DIHYDROGEN PHOSPHATE | A | 2GM9 | 0.7 | ![]() |
PLR![]() | (5-HYDROXY-4,6-DIMETHYLPYRIDIN- 3-YL)METHYL DIHYDROGEN PHOSPHATE | A,B | 2IEG | 0.7 | ![]() |
PLR![]() | (5-HYDROXY-4,6-DIMETHYLPYRIDIN- 3-YL)METHYL DIHYDROGEN PHOSPHATE | A,B | 2IEI | 0.7 | ![]() |
PLR![]() | (5-HYDROXY-4,6-DIMETHYLPYRIDIN- 3-YL)METHYL DIHYDROGEN PHOSPHATE | A,B,C,D,E,F | 3FZ8 | 0.7 | ![]() |
PLR![]() | (5-HYDROXY-4,6-DIMETHYLPYRIDIN- 3-YL)METHYL DIHYDROGEN PHOSPHATE | A,B,C,D,E,F | 1PMO | 0.7 | ![]() |
PLR![]() | (5-HYDROXY-4,6-DIMETHYLPYRIDIN- 3-YL)METHYL DIHYDROGEN PHOSPHATE | A,B,C,D,E,F | 3FSL | 0.7 | ![]() |
PLR![]() | (5-HYDROXY-4,6-DIMETHYLPYRIDIN- 3-YL)METHYL DIHYDROGEN PHOSPHATE | A | 2CFB | 0.7 | ![]() |
PLR![]() | (5-HYDROXY-4,6-DIMETHYLPYRIDIN- 3-YL)METHYL DIHYDROGEN PHOSPHATE | A,B,C,D | 3GZD | 0.7 | ![]() |
PMC![]() | 3-(PHOSPHONOMETHYL)PYRIDINE-2-CARBOXYLIC ACID | A,B,C,D,E,F, G,H,I,J,K,L | 1I43 | 0.75 | ![]() |
ISZ![]() | 4-(DIAZENYLCARBONYL)PYRIDINE | A,B,C,D | 1W6F | 0.75 | ![]() |
ISZ![]() | 4-(DIAZENYLCARBONYL)PYRIDINE | A | 2V2E | 0.75 | ![]() |
ISZ![]() | 4-(DIAZENYLCARBONYL)PYRIDINE | X | 2VCF | 0.75 | ![]() |
ISZ![]() | 4-(DIAZENYLCARBONYL)PYRIDINE | A | 2VCS | 0.75 | ![]() |
ISZ![]() | 4-(DIAZENYLCARBONYL)PYRIDINE | A | 2VCN | 0.75 | ![]() |
ISZ![]() | 4-(DIAZENYLCARBONYL)PYRIDINE | A,B | 1XR3 | 0.75 | ![]() |
282![]() | 3-methoxypyridine | X | 2RBZ | 0.71 | ![]() |
RIS![]() | 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID | A | 1YV5 | 0.78 | ![]() |
RIS![]() | 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID | A,B | 1RQJ | 0.78 | ![]() |
RIS![]() | 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID | A | 1YQ7 | 0.78 | ![]() |
RIS![]() | 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID | A | 1YHL | 0.78 | ![]() |
RIS![]() | 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID | A | 2QIS | 0.78 | ![]() |
RIS![]() | 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID | A,B | 2O1O | 0.78 | ![]() |
PYX![]() | S-[S-THIOPYRIDOXAMINYL]CYSTEINE | A,B | 1A2D | 0.71 | ![]() |
BVF![]() | 4-METHYLPYRIDIN-2-AMINE | A,B | 3E67 | 0.71 | ![]() |
BVF![]() | 4-METHYLPYRIDIN-2-AMINE | A | 2EUT | 0.71 | ![]() |
PAA![]() | (N-METHYLPYRIDYL)ACETIC ACID | I | 1HBT | 0.82 | ![]() |
MIL![]() | MILRINONE | A,B | 1TLM | 0.74 | ![]() |
K27![]() | 4-carbamoyl-1-(3-{4-[(E)-(hydroxyimino)methyl]pyridinium- 1-yl}propyl)pyridinium | A,B | 2WHR | 0.73 | ![]() |
M2C![]() | (2S)-2-AMINO-4-(METHYLSULFANYL)- 1-PYRIDIN-2-YLBUTANE-1,1-DIOL | A | 1QXY | 0.71 | ![]() |
286![]() | 2-ethenyl-1-methylpyridinium | X | 2RC2 | 0.71 | ![]() |
FOO![]() | (3E)-4-{3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN- 4-YL}-2-IMINOBUT-3-ENOIC ACID | B | 2J9Y | 0.7 | ![]() |
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 | 0.71 | ![]() |
793![]() | 3-{[(1R)-1-phenylethyl]amino}-4- (pyridin-4-ylamino)cyclobut-3-ene- 1,2-dione | A | 3FPM | 0.72 | ![]() |
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 | ![]() |
MYT![]() | METYRAPONE | A | 1PHG | 0.74 | ![]() |
MYT![]() | METYRAPONE | A | 1W0G | 0.74 | ![]() |
NTN![]() | ISONICOTINAMIDINE | A | 7ADH | 0.72 | ![]() |
PBO![]() | 1-PYRIDIN-3-YLBUTAN-1-ONE | A | 1PYJ | 0.77 | ![]() |
PY2![]() | 3-(MERCAPTOMETHYLENE)PYRIDINE | A,B | 1IDA | 0.71 | ![]() |
PD2![]() | PYRIDINE-2,4-DICARBOXYLIC ACID | A,B,C | 2W2I | 0.76 | ![]() |
PD2![]() | PYRIDINE-2,4-DICARBOXYLIC ACID | A | 2GKL | 0.76 | ![]() |
PD2![]() | PYRIDINE-2,4-DICARBOXYLIC ACID | A,B | 2VD7 | 0.76 | ![]() |
PD2![]() | PYRIDINE-2,4-DICARBOXYLIC ACID | A,B | 2JIG | 0.76 | ![]() |
PY7![]() | PYRIDIN-4-YLMETHANOL | A | 2EUR | 0.87 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1JHQ | 0.8 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1L5L | 0.8 | ![]() |
NIO![]() | NICOTINIC ACID | A | 2F7F | 0.8 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1L5K | 0.8 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1JHY | 0.8 | ![]() |
NIO![]() | NICOTINIC ACID | A,B | 1FSL | 0.8 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1L5M | 0.8 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1LH6 | 0.8 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1JHO | 0.8 | ![]() |
NIO![]() | NICOTINIC ACID | A | 3CI8 | 0.8 | ![]() |
NIO![]() | NICOTINIC ACID | A,B,C,D | 1ICU | 0.8 | ![]() |
NIO![]() | NICOTINIC ACID | A,B,C,D,E,F, G,H | 3HRD | 0.8 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1JHA | 0.8 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1JHV | 0.8 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1L4N | 0.8 | ![]() |
NIO![]() | NICOTINIC ACID | A | 2LH6 | 0.8 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1D0V | 0.8 | ![]() |
NIO![]() | NICOTINIC ACID | A,B,C,D | 1ICV | 0.8 | ![]() |
NIO![]() | NICOTINIC ACID | A,B | 1ICR | 0.8 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1JHR | 0.8 | ![]() |
PRR![]() | 3-(METHYL-PYRIDINIUM)ALANINE | H,I,J | 7KME | 0.72 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 2E5D | 0.71 | ![]() |
NCA![]() | NICOTINAMIDE | A,B,C,D | 2Z77 | 0.71 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 1DMA | 0.71 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 1ISM | 0.71 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 1YC5 | 0.71 | ![]() |
NCA![]() | NICOTINAMIDE | A | 2ZB7 | 0.71 | ![]() |
NCA![]() | NICOTINAMIDE | A,B,C,D,E,F, G,H | 1R15 | 0.71 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 2QQG | 0.71 | ![]() |
NCA![]() | NICOTINAMIDE | A | 2OTV | 0.71 | ![]() |
NCA![]() | NICOTINAMIDE | A | 2QHF | 0.71 | ![]() |
NCA![]() | NICOTINAMIDE | A,B,C,D | 2C8A | 0.71 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 2HJH | 0.71 | ![]() |
NCA![]() | NICOTINAMIDE | A | 2A15 | 0.71 | ![]() |
NCA![]() | NICOTINAMIDE | A | 2R6V | 0.71 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 1ISI | 0.71 | ![]() |
NCA![]() | NICOTINAMIDE | A,D,E | 2R9J | 0.71 | ![]() |
NCA![]() | NICOTINAMIDE | A | 2H4J | 0.71 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 2OD9 | 0.71 | ![]() |
NCA![]() | NICOTINAMIDE | A,B,C,D,E | 1YC2 | 0.71 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 3DZG | 0.71 | ![]() |
NCA![]() | NICOTINAMIDE | A | 1OJU | 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 | ![]() |
3MP![]() | 3-METHYLPYRIDINE | A | 1EUB | 0.76 | ![]() |
3MP![]() | 3-METHYLPYRIDINE | A | 1BM6 | 0.76 | ![]() |
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 | 0.72 | ![]() |
NCT![]() | (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE | A | 1P2Y | 0.72 | ![]() |
NCT![]() | (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE | A | 1P7R | 0.72 | ![]() |
NTM![]() | QUINOLINIC ACID | A | 3C2O | 0.72 | ![]() |
NTM![]() | QUINOLINIC ACID | A,B | 1QAP | 0.72 | ![]() |
NTM![]() | QUINOLINIC ACID | A,B,C,D,E,F | 1QPQ | 0.72 | ![]() |
NTM![]() | QUINOLINIC ACID | A,B,C | 2B7N | 0.72 | ![]() |
PYF![]() | 3-PYRIDINYLCARBINOL | A,B | 1R16 | 0.81 | ![]() |