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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03063386

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
C4CN-(4-chlorobenzyl)-N',N'-dimethyl-
N-pyridin-2-ylethane-1,2-diamine
A2RA70.76
7933-{[(1R)-1-phenylethyl]amino}-4-
(pyridin-4-ylamino)cyclobut-3-ene-
1,2-dione
A3FPM0.73
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.8
2755-amino-1,2-dimethylpyridiniumX2RBW0.72
APY2-AMINOMETHYL-PYRIDINEA,B,I1HIV0.75
APY2-AMINOMETHYL-PYRIDINEI1IVP0.75
5CH5-chloro-6'-methyl-3-[4-(methylsulfonyl)phenyl]-
2,3'-bipyridine
A3CFL0.73
3AP3-AMINOPYRIDINEA1AEF0.73
8APN~3~-BENZYLPYRIDINE-2,3-DIAMINEA2OHM0.74
8IPN~3~-(3-PYRIDIN-3-YLBENZYL)PYRIDINE-
2,3-DIAMINE
A2OHR0.73
736(11S)-8-CHLORO-11-[1-(METHYLSULFONYL)PIPERIDIN-
4-YL]-6-PIPERAZIN-1-YL-11H-BENZO[5,6]CYCLOHEPTA[1,2-
B]PYRIDINE
B2BED0.76
5IQISOQUINOLIN-5-AMINEA,B2F2T0.77
AUP2-(2-PHENYL-3-PYRIDIN-2-YL-4,5,6,7-
TETRAHYDRO-2H-ISOPHOSPHINDOL-1-
YL)PYRIDINE
A2AAQ0.71
BVF4-METHYLPYRIDIN-2-AMINEA,B3E670.74
BVF4-METHYLPYRIDIN-2-AMINEA2EUT0.74
1CM(2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDEA2CI00.74
2461-benzyl-3-(2-chloropyridin-4-yl)ureaA2QPM0.82
1SQISOQUINOLIN-1-AMINEA2OHK0.72
2862-ethenyl-1-methylpyridiniumX2RC20.72
2451-(2-chloropyridin-4-yl)-3-phenylureaA2QKN0.77
3MP3-METHYLPYRIDINEA1EUB0.76
3MP3-METHYLPYRIDINEA1BM60.76
4AP4-AMINOPYRIDINEA1AEG0.74