Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00257298
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 |
ESP | THIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINE | B | 1C5Y | 0.71 | |
ESP | THIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINE | A | 1C5U | 0.71 | |
ESP | THIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINE | A | 1C5T | 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 | 0.77 | |
RRC | R-ROSCOVITINE | A,B,C,D | 3DDQ | 0.71 | |
RRC | R-ROSCOVITINE | A | 1YGK | 0.71 | |
RRC | R-ROSCOVITINE | A | 1UNL | 0.71 | |
RRC | R-ROSCOVITINE | A | 2A4L | 0.71 | |
DLI | (3R,4S)-1-{6-[3-(METHYLSULFONYL)PHENYL]PYRIMIDIN- 4-YL}-4-(2,4,5-TRIFLUOROPHENYL)PYRROLIDIN- 3-AMINE | B | 2OAG | 0.73 | |
DF9 | (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2- d]pyrimidin-7-yl)methyl]-4-[(benzylsulfanyl)methyl]pyrrolidin- 3-ol | A,B | 3DF9 | 0.74 | |
MA9 | (3R,4R)-1-{6-[3-(METHYLSULFONYL)PHENYL]PYRIMIDIN- 4-YL}-4-(2,4,5-TRIFLUOROPHENYL)PIPERIDIN- 3-AMINE | A | 2OQV | 0.71 | |
AK2 | 1-(3-chlorophenyl)-3-{5-[2-(thieno[3,2- d]pyrimidin-4-ylamino)ethyl]-1,3- thiazol-2-yl}urea | A | 3D15 | 0.7 | |
685 | 2-{2-[(3,5-dimethylphenyl)amino]pyrimidin- 4-yl}-N-[(1S)-2-hydroxy-1-methylethyl]- 4-methyl-1,3-thiazole-5-carboxamide | A | 3EMG | 0.71 | |
JN5 | (2S)-1,3-benzothiazol-2-yl{2-[(2- pyridin-3-ylethyl)amino]pyrimidin- 4-yl}ethanenitrile | A | 3CY3 | 0.72 | |
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 | |
AK7 | 1-(5-{2-[(6-amino-5-bromopyrimidin- 4-yl)amino]ethyl}-1,3-thiazol-2- yl)-3-[3-(trifluoromethyl)phenyl]urea | A | 3DJ7 | 0.73 | |
DFZ | 3-AMINO-3-BENZYL-[4.3.0]BICYCLO- 1,6-DIAZANONAN-2-ONE | A | 2BRM | 0.75 | |
S1T | 2-{4-[(4-AMINO-2-METHYLPYRIMIDIN- 5-YL)METHYL]-5-[(1S)-1-HYDROXYETHYL]- 3-METHYL-2-THIENYL}ETHYL TRIHYDROGEN DIPHOSPHATE | A,B | 2Q5L | 0.7 | |
OLO | OLOMOUCINE | A | 4ERK | 0.71 | |
OLO | OLOMOUCINE | C | 1W0X | 0.71 | |
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 | 0.7 | |
R1T | 2-{4-[(4-AMINO-2-METHYLPYRIMIDIN- 5-YL)METHYL]-5-[(1R)-1-HYDROXYETHYL]- 3-METHYL-2-THIENYL}ETHYL TRIHYDROGEN DIPHOSPHATE | A,B | 2Q5L | 0.7 | |
R1T | 2-{4-[(4-AMINO-2-METHYLPYRIMIDIN- 5-YL)METHYL]-5-[(1R)-1-HYDROXYETHYL]- 3-METHYL-2-THIENYL}ETHYL TRIHYDROGEN DIPHOSPHATE | A,B | 2VBG | 0.7 | |
RMC | (2R)-2-({6-[BENZYL(METHYL)AMINO]- 9-ISOPROPYL-9H-PURIN-2-YL}AMINO)BUTAN- 1-OL | A | 1YGJ | 0.71 | |
DF2 | (2R)-3-{[(4Z)-5,6-DIPHENYL-6,7- DIHYDRO-4H-PYRROLO[2,3-D]PYRIMIDIN- 4-YLIDENE]AMINO}PROPANE-1,2-DIOL | A | 2BRO | 0.74 | |
CK4 | 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)- N-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN- 2-AMINE | A | 1PXL | 0.74 | |
CK4 | 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)- N-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN- 2-AMINE | A,C,F,H | 2C5V | 0.74 | |
AX5 | 6-(benzylsulfanyl)pyrimidine-2,4- diamine | A,B,C,D | 3BMQ | 0.71 | |
DF1 | (2R)-1-[(5,6-DIPHENYL-7H-PYRROLO[2,3- D]PYRIMIDIN-4-YL)AMINO]PROPAN-2- OL | A | 2BRN | 0.74 | |
Q74 | 2-(3-((4,5,7-trifluorobenzo[d]thiazol- 2-yl)methyl)-1H-pyrrolo[2,3-b]pyridin- 1-yl)acetic acid | A | 3G5E | 0.73 |