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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00052063

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PY23-(MERCAPTOMETHYLENE)PYRIDINEA,B1IDA0.72
3AP3-AMINOPYRIDINEA1AEF0.78
NTNISONICOTINAMIDINEA7ADH0.76
2755-amino-1,2-dimethylpyridiniumX2RBW0.77
2781-(1-methyl-1H-pyrrol-2-yl)methanamineX2RBV0.71
NI93-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUMA2OPM0.7
NI93-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUMA,B3DYF0.7
NI93-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUMA,B3DYG0.7
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.76
BVF4-METHYLPYRIDIN-2-AMINEA,B3E670.71
BVF4-METHYLPYRIDIN-2-AMINEA2EUT0.71
DA1PYRIDINE-2,5-DIAMINEA2AQD0.75
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
1UW60.71
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P2Y0.71
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P7R0.71
D4GA,B,C,D2FDY0.72
2862-ethenyl-1-methylpyridiniumX2RC20.76
PYS2-PYRIDINETHIOLA,B1CTE0.73
PYS2-PYRIDINETHIOLA2IPP0.73
5IQISOQUINOLIN-5-AMINEA,B2F2T0.7
SPY4-HYDROSULFONYLPYRIDINEA,B1IDB0.72
APY2-AMINOMETHYL-PYRIDINEA,B,I1HIV0.79
APY2-AMINOMETHYL-PYRIDINEI1IVP0.79
2451-(2-chloropyridin-4-yl)-3-phenylureaA2QKN0.72
LG45-METHYLPYRIDIN-2-AMINEA2EUP0.71
3MP3-METHYLPYRIDINEA1EUB0.76
3MP3-METHYLPYRIDINEA1BM60.76
2AP2-AMINOPYRIDINEA1AEO0.71
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2GYV0.7
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2JF00.7
4AP4-AMINOPYRIDINEA1AEG0.85