Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01925837
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 |
JN5 | (2S)-1,3-benzothiazol-2-yl{2-[(2- pyridin-3-ylethyl)amino]pyrimidin- 4-yl}ethanenitrile | A | 3CY3 | 0.73 | |
THW | C2-1-HYDROXYPHENYL-THIAMIN DIPHOSPHATE | A,B | 2BEW | 0.72 | |
PFE | {4-[3-(6,7-DIETHOXY-QUINAZOLIN- 4-YLAMINO)-PHENYL]-THIAZOL-2-YL}- METHANOL | A,F | 1KZ8 | 0.7 | |
S22 | 1-(4-(4-(2-(isopropylsulfonyl)phenylamino)- 1H-pyrrolo[2,3-b]pyridin-6-ylamino)- 3-methoxyphenyl)piperidin-4-ol | A | 3GFW | 0.71 | |
AK1 | 1-{5-[2-(thieno[3,2-d]pyrimidin- 4-ylamino)ethyl]-1,3-thiazol-2- yl}-3-[3-(trifluoromethyl)phenyl]urea | A | 3D14 | 0.72 | |
CK4 | 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)- N-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN- 2-AMINE | A | 1PXL | 0.71 | |
CK4 | 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)- N-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN- 2-AMINE | A,C,F,H | 2C5V | 0.71 | |
MXA | 6-(2,5-DIMETHOXY-BENZYL)-5-METHYL- PYRIDO[2,3-D]PYRIMIDINE-2,4-DIAMINE | A | 1U71 | 0.72 | |
MXA | 6-(2,5-DIMETHOXY-BENZYL)-5-METHYL- PYRIDO[2,3-D]PYRIMIDINE-2,4-DIAMINE | A | 1DLR | 0.72 | |
S03 | 1-{4-[4-AMINO-5-(3-METHOXYPHENYL)- 7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL]BENZYL}PIPERIDIN- 4-OL | A,B | 1YOL | 0.73 | |
TPW | 2-{4-[(4-AMINO-2-METHYLPYRIMIDIN- 5-YL)METHYL]-3-METHYLTHIOPHEN-2- YL}ETHYL TRIHYDROGEN DIPHOSPHATE | A,B,C,D,E,G | 3DVA | 0.73 | |
TPW | 2-{4-[(4-AMINO-2-METHYLPYRIMIDIN- 5-YL)METHYL]-3-METHYLTHIOPHEN-2- YL}ETHYL TRIHYDROGEN DIPHOSPHATE | A,B | 2JI6 | 0.73 | |
TPW | 2-{4-[(4-AMINO-2-METHYLPYRIMIDIN- 5-YL)METHYL]-3-METHYLTHIOPHEN-2- YL}ETHYL TRIHYDROGEN DIPHOSPHATE | A,B | 2Q5J | 0.73 | |
TPW | 2-{4-[(4-AMINO-2-METHYLPYRIMIDIN- 5-YL)METHYL]-3-METHYLTHIOPHEN-2- YL}ETHYL TRIHYDROGEN DIPHOSPHATE | A,B | 2Q5Q | 0.73 | |
TPW | 2-{4-[(4-AMINO-2-METHYLPYRIMIDIN- 5-YL)METHYL]-3-METHYLTHIOPHEN-2- YL}ETHYL TRIHYDROGEN DIPHOSPHATE | A,B | 2JI9 | 0.73 | |
TPW | 2-{4-[(4-AMINO-2-METHYLPYRIMIDIN- 5-YL)METHYL]-3-METHYLTHIOPHEN-2- YL}ETHYL TRIHYDROGEN DIPHOSPHATE | A,B,C,D,E,F, G,H | 3DV0 | 0.73 | |
TPW | 2-{4-[(4-AMINO-2-METHYLPYRIMIDIN- 5-YL)METHYL]-3-METHYLTHIOPHEN-2- YL}ETHYL TRIHYDROGEN DIPHOSPHATE | A,B | 2Q5O | 0.73 | |
LII | (Z)-6-(2-[2,5-DIMETHOXYPHENYL]ETHEN- 1-YL)-2,4-DIAMINO-5-METHYLPYRIDO[2,3- D]PYRIMIDINE | A | 1KMV | 0.71 | |
GW7 | N-{3-chloro-4-[(3-fluorobenzyl)oxy]phenyl}- 6-ethylthieno[3,2-d]pyrimidin-4- amine | A,B | 2R4B | 0.7 | |
C4F | 3-(3-methoxybenzyl)-1H-pyrrolo[2,3- b]pyridine | A,B | 3C4F | 0.73 | |
CK5 | 3-[4-(2,4-DIMETHYL-THIAZOL-5-YL)- PYRIMIDIN-2-YLAMINO]-PHENOL | A | 1PXM | 0.7 | |
MHR | 4-(4-propoxy-1H-pyrrolo[2,3-b]pyridin- 3-yl)pyrimidin-2-amine | A,B,C,D | 3BHU | 0.73 | |
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 | |
R1T | 2-{4-[(4-AMINO-2-METHYLPYRIMIDIN- 5-YL)METHYL]-5-[(1R)-1-HYDROXYETHYL]- 3-METHYL-2-THIENYL}ETHYL TRIHYDROGEN DIPHOSPHATE | A,B,C,D,E,G | 3DUF | 0.74 | |
R1T | 2-{4-[(4-AMINO-2-METHYLPYRIMIDIN- 5-YL)METHYL]-5-[(1R)-1-HYDROXYETHYL]- 3-METHYL-2-THIENYL}ETHYL TRIHYDROGEN DIPHOSPHATE | A,B | 2Q5L | 0.74 | |
R1T | 2-{4-[(4-AMINO-2-METHYLPYRIMIDIN- 5-YL)METHYL]-5-[(1R)-1-HYDROXYETHYL]- 3-METHYL-2-THIENYL}ETHYL TRIHYDROGEN DIPHOSPHATE | A,B | 2VBG | 0.74 | |
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 | 0.72 | |
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 | 0.72 | |
PZF | (3R,4S)-1-[6-(6-METHOXYPYRIDIN- 3-YL)PYRIMIDIN-4-YL]-4-(2,4,5-TRIFLUOROPHENYL)PYRROLIDIN- 3-AMINE | A,B | 2QJR | 0.72 | |
MFR | 4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin- 3-yl)pyrimidin-2-amine | A,B,C,D | 3BHT | 0.73 | |
S1T | 2-{4-[(4-AMINO-2-METHYLPYRIMIDIN- 5-YL)METHYL]-5-[(1S)-1-HYDROXYETHYL]- 3-METHYL-2-THIENYL}ETHYL TRIHYDROGEN DIPHOSPHATE | A,B | 2Q5L | 0.74 |