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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00023304

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
SPY4-HYDROSULFONYLPYRIDINEA,B1IDB0.71
AS34-METHYL-6-PROPYLPYRIDIN-2-AMINEA,B3E6N0.71
DA1PYRIDINE-2,5-DIAMINEA2AQD0.86
8APN~3~-BENZYLPYRIDINE-2,3-DIAMINEA2OHM0.77
8IPN~3~-(3-PYRIDIN-3-YLBENZYL)PYRIDINE-
2,3-DIAMINE
A2OHR0.71
2755-amino-1,2-dimethylpyridiniumX2RBW0.73
APY2-AMINOMETHYL-PYRIDINEA,B,I1HIV0.77
APY2-AMINOMETHYL-PYRIDINEI1IVP0.77
NTNISONICOTINAMIDINEA7ADH0.82
LG45-METHYLPYRIDIN-2-AMINEA2EUP0.86
3AP3-AMINOPYRIDINEA1AEF0.75
3MP3-METHYLPYRIDINEA1EUB0.77
3MP3-METHYLPYRIDINEA1BM60.77
1BY[2-(PYRIDIN-2-YLAMINO)ETHANE-1,1-
DIYL]BIS(PHOSPHONIC ACID)
A,B2I190.79
D4GA,B,C,D2FDY0.72
PY23-(MERCAPTOMETHYLENE)PYRIDINEA,B1IDA0.73
CBQ[(5-CHLORO-PYRIDIN-2-YLAMINO)-PHOSPHONO-
METHYL]-PHOSPHONIC ACID
A,B1T1S0.74
IMB[(ISOQUINOLIN-1-YLAMINO)-PHOSPHONO-
METHYL]-PHOSPHONIC ACID
A,B1T1R0.7
2862-ethenyl-1-methylpyridiniumX2RC20.74
BVF4-METHYLPYRIDIN-2-AMINEA,B3E670.85
BVF4-METHYLPYRIDIN-2-AMINEA2EUT0.85
C4CN-(4-chlorobenzyl)-N',N'-dimethyl-
N-pyridin-2-ylethane-1,2-diamine
A2RA70.7
26DPYRIDINE-2,6-DIAMINEA2ANZ0.83
PYS2-PYRIDINETHIOLA,B1CTE0.74
PYS2-PYRIDINETHIOLA2IPP0.74
GVH1H-PYRROLO[2,3-B]PYRIDINEA2UVX0.72
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D2RFQ0.7
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D,E,F2GA40.7
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D,E,F1R4P0.7
NI93-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUMA2OPM0.71
NI93-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUMA,B3DYF0.71
NI93-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUMA,B3DYG0.71
4AP4-AMINOPYRIDINEA1AEG0.74
MPIIMIDAZO[1,2-A]PYRIDINEA1AEM0.73
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.72
2AP2-AMINOPYRIDINEA1AEO0.87
1SQISOQUINOLIN-1-AMINEA2OHK0.78