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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02324013

You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
MI13-{(3R,4R)-4-methyl-3-[methyl(7H-
pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-
1-yl}-3-oxopropanenitrile
A,B3FUP0.76
MI13-{(3R,4R)-4-methyl-3-[methyl(7H-
pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-
1-yl}-3-oxopropanenitrile
A3EYG0.76
CQUN-[2-(5-methyl-4H-1,2,4-triazol-
3-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-
4-amine
A3CQU0.71
C4EN-phenyl-1H-pyrrolo[2,3-b]pyridin-
3-amine
A,B,C,D3C4E0.75
GVH1H-PYRROLO[2,3-B]PYRIDINEA2UVX0.8
M054-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3-
d]pyrimidin-4-yl)piperidin-4-aminium
A2VO70.77
M054-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3-
d]pyrimidin-4-yl)piperidin-4-aminium
A2VO60.77
M031-[4-(4-chlorophenyl)-1-(7H-pyrrolo[2,3-
d]pyrimidin-4-yl)piperidin-4-yl]methanamine
A,I2VO00.77
9DA9-DEAZAADENINEA1L1R0.72
9DA9-DEAZAADENINEA1L1Q0.72
MPIIMIDAZO[1,2-A]PYRIDINEA1AEM0.72
CQW5-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-
4-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-
c]pyridine
A3CQW0.77
M041-[4-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3-
d]pyrimidin-4-yl)piperidin-4-yl]methanamine
A2VO30.77