Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03215514
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 |
TDP | THIAMIN DIPHOSPHATE | A,B,C,D,E,F | 2PAN | 0.83 | |
TDP | THIAMIN DIPHOSPHATE | A,B | 1OLX | 0.83 | |
TDP | THIAMIN DIPHOSPHATE | A,B | 1X7Z | 0.83 | |
TDP | THIAMIN DIPHOSPHATE | A,B | 1V11 | 0.83 | |
TDP | THIAMIN DIPHOSPHATE | A,B | 2BFB | 0.83 | |
TDP | THIAMIN DIPHOSPHATE | A,B | 1PYD | 0.83 | |
TDP | THIAMIN DIPHOSPHATE | A,B | 1OLS | 0.83 | |
TDP | THIAMIN DIPHOSPHATE | A,B | 1OLU | 0.83 | |
TDP | THIAMIN DIPHOSPHATE | A,B | 1V1M | 0.83 | |
TDP | THIAMIN DIPHOSPHATE | A,B | 1X7W | 0.83 | |
TDP | THIAMIN DIPHOSPHATE | A,B,C,D | 2O1X | 0.83 | |
TDP | THIAMIN DIPHOSPHATE | A,B | 2QTA | 0.83 | |
TDP | THIAMIN DIPHOSPHATE | A,C,E,G | 1W88 | 0.83 | |
TDP | THIAMIN DIPHOSPHATE | A | 2FWN | 0.83 | |
TDP | THIAMIN DIPHOSPHATE | A,B | 3EY9 | 0.83 | |
TDP | THIAMIN DIPHOSPHATE | A,B,C,D | 2O1S | 0.83 | |
TDP | THIAMIN DIPHOSPHATE | A,B | 1DTW | 0.83 | |
TDP | THIAMIN DIPHOSPHATE | A,B | 1X7Y | 0.83 | |
TDP | THIAMIN DIPHOSPHATE | A,B | 1X7X | 0.83 | |
TDP | THIAMIN DIPHOSPHATE | A,B | 1U5B | 0.83 | |
TDP | THIAMIN DIPHOSPHATE | A,C | 1UMD | 0.83 | |
TDP | THIAMIN DIPHOSPHATE | A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P | 1MCZ | 0.83 | |
TDP | THIAMIN DIPHOSPHATE | A,B | 2BFE | 0.83 | |
TDP | THIAMIN DIPHOSPHATE | A,C,D | 1UMC | 0.83 | |
TDP | THIAMIN DIPHOSPHATE | A,B,C,D,E,F, G,H | 1W85 | 0.83 | |
TDP | THIAMIN DIPHOSPHATE | A,B | 1X80 | 0.83 | |
TDP | THIAMIN DIPHOSPHATE | A,C | 1UMB | 0.83 | |
TDP | THIAMIN DIPHOSPHATE | A,B | 1V16 | 0.83 | |
TDP | THIAMIN DIPHOSPHATE | A,B | 1QS0 | 0.83 | |
TDP | THIAMIN DIPHOSPHATE | A,B | 1L8A | 0.83 | |
TDP | THIAMIN DIPHOSPHATE | A,B | 2BFD | 0.83 | |
TDP | THIAMIN DIPHOSPHATE | A,B,C,D,E,F, G,H,I,J,K,L | 3EYA | 0.83 | |
TDP | THIAMIN DIPHOSPHATE | A,B | 2IEA | 0.83 | |
THW | C2-1-HYDROXYPHENYL-THIAMIN DIPHOSPHATE | A,B | 2BEW | 0.72 | |
HTL | 2-ACETYL-THIAMINE DIPHOSPHATE | A,B | 2EZU | 0.83 | |
HTL | 2-ACETYL-THIAMINE DIPHOSPHATE | A,B | 2C3Y | 0.83 | |
HTL | 2-ACETYL-THIAMINE DIPHOSPHATE | A | 1V5G | 0.83 | |
HTL | 2-ACETYL-THIAMINE DIPHOSPHATE | A,B | 2UZA | 0.83 | |
HTL | 2-ACETYL-THIAMINE DIPHOSPHATE | A,B | 1KEK | 0.83 | |
FTP | 3-(4-AMINO-2-TRIFLUOROMETHYL-PYRIMIDIN- 5-YLMETHYL)-4-METHYL-5-(2-PHOSPHONATOOXY- ETHYL)-THIAZOL-3-IUM | A,B | 1G4T | 0.8 | |
OXT | A,B | 2JI7 | 0.71 | ||
AHZ | ADENOSINE DIPHOSPHATE 5-(BETA-ETHYL)- 4-METHYL-THIAZOLE-2-CARBOXYLIC ACID | A,B | 2GJC | 0.73 | |
AHZ | ADENOSINE DIPHOSPHATE 5-(BETA-ETHYL)- 4-METHYL-THIAZOLE-2-CARBOXYLIC ACID | A,B | 1RP0 | 0.73 | |
THY | C2-1-HYDROXY-2-METHYL-BUTYL-THIAMIN DIPHOSPHATE | A,B | 2BEV | 0.84 | |
T6F | 2-C-{3-[(4-amino-2-methylpyrimidin- 5-yl)methyl]-5-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)- 4-methyl-1,3-thiazol-3-ium-2-yl}- 6-O-phosphono-D-glucitol | A,B | 2R8P | 0.82 | |
8PA | 3-[(4-amino-2-methylpyrimidin-5- yl)methyl]-5-(2-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)- 2-[(1S,2E)-1-hydroxy-3-pyridin- 3-ylprop-2-en-1-yl]-4-methyl-1,3- thiazol-3-ium | X | 3F6E | 0.73 | |
8PA | 3-[(4-amino-2-methylpyrimidin-5- yl)methyl]-5-(2-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)- 2-[(1S,2E)-1-hydroxy-3-pyridin- 3-ylprop-2-en-1-yl]-4-methyl-1,3- thiazol-3-ium | X | 3F6B | 0.73 | |
TPP | THIAMINE DIPHOSPHATE | A | 2HOK | 0.83 | |
TPP | THIAMINE DIPHOSPHATE | A,B,C,D | 2VK8 | 0.83 | |
TPP | THIAMINE DIPHOSPHATE | A,B,C,D | 2AG1 | 0.83 | |
TPP | THIAMINE DIPHOSPHATE | A,B | 2PDA | 0.83 | |
TPP | THIAMINE DIPHOSPHATE | A,B | 1JSC | 0.83 | |
TPP | THIAMINE DIPHOSPHATE | A | 1BFD | 0.83 | |
TPP | THIAMINE DIPHOSPHATE | A,B | 2C3M | 0.83 | |
TPP | THIAMINE DIPHOSPHATE | A | 1Z8N | 0.83 | |
TPP | THIAMINE DIPHOSPHATE | A,B | 2JLC | 0.83 | |
TPP | THIAMINE DIPHOSPHATE | A,B | 2C3O | 0.83 | |
TPP | THIAMINE DIPHOSPHATE | A,B,C,D | 2VK4 | 0.83 | |
TPP | THIAMINE DIPHOSPHATE | A | 3E78 | 0.83 | |
TPP | THIAMINE DIPHOSPHATE | A,B,C,D | 2OZL | 0.83 | |
TPP | THIAMINE DIPHOSPHATE | A,B,C,D,E,F, G,H | 3EXF | 0.83 | |
TPP | THIAMINE DIPHOSPHATE | A,B | 1NGS | 0.83 | |
TPP | THIAMINE DIPHOSPHATE | A,B | 2Q27 | 0.83 | |
TPP | THIAMINE DIPHOSPHATE | A,B | 1POX | 0.83 | |
TPP | THIAMINE DIPHOSPHATE | A,B,C,D | 2IHV | 0.83 | |
TPP | THIAMINE DIPHOSPHATE | A,B,C | 1ITZ | 0.83 | |
TPP | THIAMINE DIPHOSPHATE | A,B | 1N0H | 0.83 | |
TPP | THIAMINE DIPHOSPHATE | A,B,C,D | 2IHT | 0.83 | |
TPP | THIAMINE DIPHOSPHATE | A,B,C,D | 2VK1 | 0.83 | |
TPP | THIAMINE DIPHOSPHATE | A | 2HOL | 0.83 | |
TPP | THIAMINE DIPHOSPHATE | B | 2VBF | 0.83 | |
TPP | THIAMINE DIPHOSPHATE | A,B,C,D,E,F, G,H | 3EXE | 0.83 | |
TPP | THIAMINE DIPHOSPHATE | A,B | 2Q28 | 0.83 | |
TPP | THIAMINE DIPHOSPHATE | A,B | 1QPB | 0.83 | |
TPP | THIAMINE DIPHOSPHATE | A | 2HOJ | 0.83 | |
TPP | THIAMINE DIPHOSPHATE | A,B | 2Q29 | 0.83 | |
TPP | THIAMINE DIPHOSPHATE | A,B | 1R9J | 0.83 | |
TPP | THIAMINE DIPHOSPHATE | A,B | 3C9U | 0.83 | |
TPP | THIAMINE DIPHOSPHATE | A,B | 1B0P | 0.83 | |
TPP | THIAMINE DIPHOSPHATE | A,B,C,D | 1UPA | 0.83 | |
TPP | THIAMINE DIPHOSPHATE | A,B,C,D,E,F, G,H | 2VBI | 0.83 | |
TPP | THIAMINE DIPHOSPHATE | A,B,C,D | 1NI4 | 0.83 | |
TPP | THIAMINE DIPHOSPHATE | A | 3E79 | 0.83 | |
TPP | THIAMINE DIPHOSPHATE | A,B | 3D2G | 0.83 | |
TPP | THIAMINE DIPHOSPHATE | A,B | 2JI8 | 0.83 | |
TPP | THIAMINE DIPHOSPHATE | A,B,C,D | 1UPB | 0.83 | |
TPP | THIAMINE DIPHOSPHATE | A,B,C,D | 2JLA | 0.83 | |
TPP | THIAMINE DIPHOSPHATE | A,B | 2PGO | 0.83 | |
TPP | THIAMINE DIPHOSPHATE | A,B | 1POW | 0.83 | |
TPP | THIAMINE DIPHOSPHATE | A,B | 2CKY | 0.83 | |
TPP | THIAMINE DIPHOSPHATE | A | 3EKI | 0.83 | |
TPP | THIAMINE DIPHOSPHATE | A,B | 2PGN | 0.83 | |
TPP | THIAMINE DIPHOSPHATE | A,B,C,D | 2VJY | 0.83 | |
TPP | THIAMINE DIPHOSPHATE | A,B,C,D | 2UZ1 | 0.83 | |
TPP | THIAMINE DIPHOSPHATE | A,B,C,D | 2W93 | 0.83 | |
TPP | THIAMINE DIPHOSPHATE | A,B | 1QGD | 0.83 | |
TPP | THIAMINE DIPHOSPHATE | A,B | 2EZ4 | 0.83 | |
TPP | THIAMINE DIPHOSPHATE | A,B | 2JIB | 0.83 | |
TPP | THIAMINE DIPHOSPHATE | A,B | 1AY0 | 0.83 | |
TPP | THIAMINE DIPHOSPHATE | A | 1V5F | 0.83 | |
TPP | THIAMINE DIPHOSPHATE | A,B,C,D | 1Y9D | 0.83 | |
TPP | THIAMINE DIPHOSPHATE | A,B | 1OZF | 0.83 | |
TPP | THIAMINE DIPHOSPHATE | A,B | 2C42 | 0.83 | |
TPP | THIAMINE DIPHOSPHATE | A,B,C,D,E,F | 1UPC | 0.83 | |
TPP | THIAMINE DIPHOSPHATE | A,B | 2R5N | 0.83 | |
TPP | THIAMINE DIPHOSPHATE | A,B | 1TRK | 0.83 | |
TPP | THIAMINE DIPHOSPHATE | A,B | 2NXW | 0.83 | |
TPP | THIAMINE DIPHOSPHATE | A,B,C,D | 2V3W | 0.83 | |
TPP | THIAMINE DIPHOSPHATE | A,B,C,D | 1OVM | 0.83 | |
TPP | THIAMINE DIPHOSPHATE | X,Y | 2GDI | 0.83 | |
TPP | THIAMINE DIPHOSPHATE | A,B,C,D | 2AG0 | 0.83 | |
TPP | THIAMINE DIPHOSPHATE | A,C,E,G | 3EXH | 0.83 | |
TPP | THIAMINE DIPHOSPHATE | A,B | 1PVD | 0.83 | |
THV | C2-1-HYDROXY-3-METHYL-PROPYL-THIAMIN DIPHOSPHATE | A,B,C,D | 2J9F | 0.85 | |
THV | C2-1-HYDROXY-3-METHYL-PROPYL-THIAMIN DIPHOSPHATE | A,B | 2BEU | 0.85 | |
VIB | 3-(4-AMINO-2-METHYL-PYRIMIDIN-5- YLMETHYL)-5-(2-HYDROXY-ETHYL)-4- METHYL-THIAZOL-3-IUM | A,B | 2HH9 | 0.87 | |
VIB | 3-(4-AMINO-2-METHYL-PYRIMIDIN-5- YLMETHYL)-5-(2-HYDROXY-ETHYL)-4- METHYL-THIAZOL-3-IUM | A,B | 1SBR | 0.87 | |
VIB | 3-(4-AMINO-2-METHYL-PYRIMIDIN-5- YLMETHYL)-5-(2-HYDROXY-ETHYL)-4- METHYL-THIAZOL-3-IUM | A,B | 1IG0 | 0.87 | |
VIB | 3-(4-AMINO-2-METHYL-PYRIMIDIN-5- YLMETHYL)-5-(2-HYDROXY-ETHYL)-4- METHYL-THIAZOL-3-IUM | A,B | 1IG3 | 0.87 | |
TDL | 3-[(4-AMINO-2-METHYLPYRIMIDIN-5- YL)METHYL]-2-(1-CARBOXY-1-HYDROXYETHYL)- 5-(2-{[HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}ETHYL)- 4-METHYL-1,3-THIAZOL-3-IUM | A,B | 2EZ8 | 0.95 | |
TPS | THIAMIN PHOSPHATE | A,B | 3C9T | 0.83 | |
TPS | THIAMIN PHOSPHATE | A | 2HOM | 0.83 | |
TPS | THIAMIN PHOSPHATE | A,B | 1G4S | 0.83 | |
TPS | THIAMIN PHOSPHATE | A,B,C,D | 2QRY | 0.83 | |
TPS | THIAMIN PHOSPHATE | A,B | 2TPS | 0.83 | |
D2X | 3-[(4-hydroxy-2-methylpyrimidin- 5-yl)methyl]-5-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)- 4-methyl-1,3-thiazol-3-ium | A,B | 3D2X | 0.78 | |
VNP | 3-[(4-AMINO-2-METHYLPYRIMIDIN-5- YL)METHYL]-5-(2-{[HYDROXY(PHOSPHONOAMINO)PHOSPHORYL]OXY}ETHYL)- 4-METHYL-1,3-THIAZOL-3-IUM | A,B | 2G9Z | 0.82 | |
M6T | A,B | 1TKC | 0.77 | ||
1TP | 1-(2-{(2S,4R,5R)-3-[(4-AMINO-2- METHYLPYRIMIDIN-5-YL)METHYL]-2- [(1S)-1-CARBOXY-1-HYDROXYETHYL]- 4-METHYL-1,3-THIAZOLIDIN-5-YL}ETHOXY)- 1,1,3,3-TETRAHYDROXY-1LAMBDA~5~- DIPHOSPHOX-1-EN-2-IUM 3-OXIDE | A,B | 2C3P | 0.78 | |
T5X | 2-C-{3-[(4-amino-2-methylpyrimidin- 5-yl)methyl]-5-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)- 4-methyl-1,3-thiazol-3-ium-2-yl}- 5-O-phosphono-D-xylitol | A,B | 2R8O | 0.85 | |
D7K | 3-[(4-amino-2-methylpyrimidin-5- yl)methyl]-2-{(S)-hydroxy[(R)-hydroxy(methoxy)phosphoryl]phenylmethyl}- 5-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)- 4-methyl-1,3-thiazol-3-ium | A,B,C,D | 3FZN | 0.72 | |
D7K | 3-[(4-amino-2-methylpyrimidin-5- yl)methyl]-2-{(S)-hydroxy[(R)-hydroxy(methoxy)phosphoryl]phenylmethyl}- 5-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)- 4-methyl-1,3-thiazol-3-ium | A,B | 3D7K | 0.72 | |
D7K | 3-[(4-amino-2-methylpyrimidin-5- yl)methyl]-2-{(S)-hydroxy[(R)-hydroxy(methoxy)phosphoryl]phenylmethyl}- 5-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)- 4-methyl-1,3-thiazol-3-ium | X | 3FSJ | 0.72 | |
2TP | 2-(3-{[4-(HYDROXYAMINO)-2-METHYLPYRIMIDIN- 5-YL]METHYL}-4-METHYL-2,3-DIHYDRO- 1,3-THIAZOL-5-YL)ETHYL TRIHYDROGEN DIPHOSPHATE | A,B | 2C3U | 0.81 | |
TDK | 3-[(4-AMINO-2-METHYLPYRIMIDIN-5- YL)METHYL]-2-{(1S)-1-HYDROXY-1- [(R)-HYDROXY(METHOXY)PHOSPHORYL]ETHYL}- 5-(2-{[(S)-HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}ETHYL)- 4-METHYL-1,3-THIAZOL-3-IUM | A,B | 2G28 | 0.86 | |
TDK | 3-[(4-AMINO-2-METHYLPYRIMIDIN-5- YL)METHYL]-2-{(1S)-1-HYDROXY-1- [(R)-HYDROXY(METHOXY)PHOSPHORYL]ETHYL}- 5-(2-{[(S)-HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}ETHYL)- 4-METHYL-1,3-THIAZOL-3-IUM | A,B | 2QTC | 0.86 | |
TDK | 3-[(4-AMINO-2-METHYLPYRIMIDIN-5- YL)METHYL]-2-{(1S)-1-HYDROXY-1- [(R)-HYDROXY(METHOXY)PHOSPHORYL]ETHYL}- 5-(2-{[(S)-HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}ETHYL)- 4-METHYL-1,3-THIAZOL-3-IUM | A,B | 2EZ9 | 0.86 | |
TDK | 3-[(4-AMINO-2-METHYLPYRIMIDIN-5- YL)METHYL]-2-{(1S)-1-HYDROXY-1- [(R)-HYDROXY(METHOXY)PHOSPHORYL]ETHYL}- 5-(2-{[(S)-HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}ETHYL)- 4-METHYL-1,3-THIAZOL-3-IUM | A,B | 2G25 | 0.86 | |
WWF | C2-1-HYDROXY-3-METHYL-BUTYL-THIAMIN | A,B | 1WCI | 0.84 |