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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00023305

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
2AP2-AMINOPYRIDINEA1AEO0.92
3MP3-METHYLPYRIDINEA1EUB0.73
3MP3-METHYLPYRIDINEA1BM60.73
NTNISONICOTINAMIDINEA7ADH0.79
2755-amino-1,2-dimethylpyridiniumX2RBW0.7
GVH1H-PYRROLO[2,3-B]PYRIDINEA2UVX0.76
3AP3-AMINOPYRIDINEA1AEF0.78
APY2-AMINOMETHYL-PYRIDINEA,B,I1HIV0.75
APY2-AMINOMETHYL-PYRIDINEI1IVP0.75
8IPN~3~-(3-PYRIDIN-3-YLBENZYL)PYRIDINE-
2,3-DIAMINE
A2OHR0.71
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.71
BVF4-METHYLPYRIDIN-2-AMINEA,B3E670.81
BVF4-METHYLPYRIDIN-2-AMINEA2EUT0.81
9DA9-DEAZAADENINEA1L1R0.72
9DA9-DEAZAADENINEA1L1Q0.72
26DPYRIDINE-2,6-DIAMINEA2ANZ0.78
CBQ[(5-CHLORO-PYRIDIN-2-YLAMINO)-PHOSPHONO-
METHYL]-PHOSPHONIC ACID
A,B1T1S0.74
8APN~3~-BENZYLPYRIDINE-2,3-DIAMINEA2OHM0.76
6IP6-[2-(1H-INDOL-6-YL)ETHYL]PYRIDIN-
2-AMINE
A2OHP0.7
4AP4-AMINOPYRIDINEA1AEG0.78
LG45-METHYLPYRIDIN-2-AMINEA2EUP0.82
MPIIMIDAZO[1,2-A]PYRIDINEA1AEM0.78
1SQISOQUINOLIN-1-AMINEA2OHK0.75
1BY[2-(PYRIDIN-2-YLAMINO)ETHANE-1,1-
DIYL]BIS(PHOSPHONIC ACID)
A,B2I190.78
DA1PYRIDINE-2,5-DIAMINEA2AQD0.82
PYS2-PYRIDINETHIOLA,B1CTE0.7
PYS2-PYRIDINETHIOLA2IPP0.7
2862-ethenyl-1-methylpyridiniumX2RC20.7