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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03286329

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
9DA9-DEAZAADENINEA1L1R0.73
9DA9-DEAZAADENINEA1L1Q0.73
DA1PYRIDINE-2,5-DIAMINEA2AQD0.91
2755-amino-1,2-dimethylpyridiniumX2RBW0.78
C4CN-(4-chlorobenzyl)-N',N'-dimethyl-
N-pyridin-2-ylethane-1,2-diamine
A2RA70.71
BVF4-METHYLPYRIDIN-2-AMINEA,B3E670.8
BVF4-METHYLPYRIDIN-2-AMINEA2EUT0.8
SCE3-methyl-N-(pyridin-4-ylmethyl)imidazo[1,2-
a]pyrazin-8-amine
A2R3H0.7
3MP3-METHYLPYRIDINEA1EUB0.74
3MP3-METHYLPYRIDINEA1BM60.74
NTNISONICOTINAMIDINEA7ADH0.76
LZ44-[(6-chloropyrazin-2-yl)amino]benzenesulfonamideA2VTJ0.7
CBQ[(5-CHLORO-PYRIDIN-2-YLAMINO)-PHOSPHONO-
METHYL]-PHOSPHONIC ACID
A,B1T1S0.72
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D2RFQ0.71
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D,E,F2GA40.71
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D,E,F1R4P0.71
26DPYRIDINE-2,6-DIAMINEA2ANZ0.77
APY2-AMINOMETHYL-PYRIDINEA,B,I1HIV0.77
APY2-AMINOMETHYL-PYRIDINEI1IVP0.77
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.71
1BY[2-(PYRIDIN-2-YLAMINO)ETHANE-1,1-
DIYL]BIS(PHOSPHONIC ACID)
A,B2I190.76
RW14-phenylpyrimidineA,B,C3B9S0.7
3AP3-AMINOPYRIDINEA1AEF0.79
LG45-METHYLPYRIDIN-2-AMINEA2EUP0.8
2862-ethenyl-1-methylpyridiniumX2RC20.74
8IPN~3~-(3-PYRIDIN-3-YLBENZYL)PYRIDINE-
2,3-DIAMINE
A2OHR0.75
8APN~3~-BENZYLPYRIDINE-2,3-DIAMINEA2OHM0.81
PY23-(MERCAPTOMETHYLENE)PYRIDINEA,B1IDA0.71
1SQISOQUINOLIN-1-AMINEA2OHK0.73
SPY4-HYDROSULFONYLPYRIDINEA,B1IDB0.72
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2GYV0.73
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2JF00.73
2781-(1-methyl-1H-pyrrol-2-yl)methanamineX2RBV0.7
MPIIMIDAZO[1,2-A]PYRIDINEA1AEM0.74
PYS2-PYRIDINETHIOLA,B1CTE0.72
PYS2-PYRIDINETHIOLA2IPP0.72
4AP4-AMINOPYRIDINEA1AEG0.73
2AP2-AMINOPYRIDINEA1AEO0.81