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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02162731

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
5803-(4-FLUOROPHENYL)-2-(6-METHYLPYRIDIN-
2-YL)-5,6-DIHYDRO-4H-PYRROLO[1,2-
B]PYRAZOLE
A1RW80.73
APY2-AMINOMETHYL-PYRIDINEA,B,I1HIV0.73
APY2-AMINOMETHYL-PYRIDINEI1IVP0.73
LZ5N-phenyl-1H-pyrazole-3-carboxamideA2VTL0.77
LL13-pyridin-4-yl-1H-indazoleA3DNE0.73
LZ11H-indazoleA,B3E6I0.7
LZ11H-indazoleA2VTA0.7
PY14-(3-PYRIDIN-2-YL-1H-PYRAZOL-4-
YL)QUINOLINE
A1PY50.72
2755-amino-1,2-dimethylpyridiniumX2RBW0.75
GVG3-METHYL-4-PHENYL-1H-PYRAZOLEA2UW30.72
L0D2-(1H-pyrazol-3-yl)-1H-benzimidazoleA2W1D0.71
2862-ethenyl-1-methylpyridiniumX2RC20.73
P19N,N'-DIPHENYLPYRAZOLO[1,5-A][1,3,5]TRIAZINE-
2,4-DIAMINE
A2PVH0.72
2781-(1-methyl-1H-pyrrol-2-yl)methanamineX2RBV0.74
L152-[4-(3-METHYL-1H-PYRAZOL-4-YL)PHENYL]ETHANAMINEA2UW40.71
GG54-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-
4-YL]PYRIDINE
A3HVC0.74
9285-amino-1-(4-chlorophenyl)-1H-pyrazole-
4-carbonitrile
A3EJ20.71
ZZA1-PHENYL-1H-PYRAZOLE-4-CARBOXYLIC ACIDA,B,D2VCW0.76
LIG3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-
.C.]PYRAZOLE
P1JVP0.71
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R,
S,T
1UW60.7
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P2Y0.7
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P7R0.7
R204-(3-METHYLPHENYL)-1H-1,2,3-TRIAZOLEA2ADU0.7
LZ74-(acetylamino)-N-(4-fluorophenyl)-
1H-pyrazole-3-carboxamide
A2VTN0.74