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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00023713

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
2862-ethenyl-1-methylpyridiniumX2RC20.8
4AP4-AMINOPYRIDINEA1AEG0.71
3MP3-METHYLPYRIDINEA1EUB0.74
3MP3-METHYLPYRIDINEA1BM60.74
2755-amino-1,2-dimethylpyridiniumX2RBW0.74
APY2-AMINOMETHYL-PYRIDINEA,B,I1HIV0.78
APY2-AMINOMETHYL-PYRIDINEI1IVP0.78
PY23-(MERCAPTOMETHYLENE)PYRIDINEA,B1IDA0.71
THATACRINEA,B2AOW0.72
THATACRINEA,B,C,D,E,F1MX10.72
THATACRINEA,B2AOX0.72
THATACRINEA1ACJ0.72
3AP3-AMINOPYRIDINEA1AEF0.71
AS34-METHYL-6-PROPYLPYRIDIN-2-AMINEA,B3E6N0.72
NTNISONICOTINAMIDINEA7ADH0.7
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2GYV0.73
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2JF00.73
SB9HYDROXY[3-(6-METHYLPYRIDIN-2-YL)PROPYL]FORMAMIDEP2AIE0.77
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
PYS2-PYRIDINETHIOLA,B1CTE0.72
PYS2-PYRIDINETHIOLA2IPP0.72
26DPYRIDINE-2,6-DIAMINEA2ANZ0.76