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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00013459

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
AS34-METHYL-6-PROPYLPYRIDIN-2-AMINEA,B3E6N0.71
3AP3-AMINOPYRIDINEA1AEF0.78
26DPYRIDINE-2,6-DIAMINEA2ANZ0.75
VGD6-chloro-1H-benzimidazol-2-amineA,B,C,D2WD70.72
HUX3-CHLORO-9-ETHYL-6,7,8,9,10,11-
HEXAHYDRO-7,11-METHANOCYCLOOCTA[B]QUINOLIN-
12-AMINE
A1E660.71
2781-(1-methyl-1H-pyrrol-2-yl)methanamineX2RBV0.71
DA1PYRIDINE-2,5-DIAMINEA2AQD0.74
2862-ethenyl-1-methylpyridiniumX2RC20.74
THATACRINEA,B2AOW0.7
THATACRINEA,B,C,D,E,F1MX10.7
THATACRINEA,B2AOX0.7
THATACRINEA1ACJ0.7
4AP4-AMINOPYRIDINEA1AEG0.72
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.7
SB9HYDROXY[3-(6-METHYLPYRIDIN-2-YL)PROPYL]FORMAMIDEP2AIE0.72
APY2-AMINOMETHYL-PYRIDINEA,B,I1HIV0.79
APY2-AMINOMETHYL-PYRIDINEI1IVP0.79
2451-(2-chloropyridin-4-yl)-3-phenylureaA2QKN0.72
2755-amino-1,2-dimethylpyridiniumX2RBW0.82