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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00008321

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
B713-(DECYLOXY)-1-(2,2-DIPHOSPHONOETHYL)PYRIDINIUMA,B2ZEU0.71
B713-(DECYLOXY)-1-(2,2-DIPHOSPHONOETHYL)PYRIDINIUMA,B2ZEV0.71
2AP2-AMINOPYRIDINEA1AEO0.74
4AP4-AMINOPYRIDINEA1AEG0.76
PYF3-PYRIDINYLCARBINOLA,B1R160.73
3IP3-(BENZYLOXY)PYRIDIN-2-AMINEA1W7H0.72
M2C(2S)-2-AMINO-4-(METHYLSULFANYL)-
1-PYRIDIN-2-YLBUTANE-1,1-DIOL
A1QXY0.71
PY7PYRIDIN-4-YLMETHANOLA2EUR0.75
PXM4-(AMINOMETHYL)-5-(HYDROXYMETHYL)-
2-METHYLPYRIDIN-3-OL
A1RFT0.71
PXM4-(AMINOMETHYL)-5-(HYDROXYMETHYL)-
2-METHYLPYRIDIN-3-OL
A,B2Z9V0.71
PYCPYRROLE-2-CARBOXYLATEA1W620.71
PYCPYRROLE-2-CARBOXYLATEA,B1L9D0.71
PYCPYRROLE-2-CARBOXYLATEA,B2CWH0.71
PYCPYRROLE-2-CARBOXYLATEA,B1W610.71
PYCPYRROLE-2-CARBOXYLATEA,B1ELI0.71
3AP3-AMINOPYRIDINEA1AEF0.76
NTNISONICOTINAMIDINEA7ADH0.7
IOS3-SULFOOXY-1H-INDOLEA,B2BXH0.73
7221-(2,2-diphosphonoethyl)-3-(heptyloxy)pyridiniumA,B3EGT0.73
7141-(2,2-diphosphonoethyl)-3-(octyloxy)pyridiniumA,B3EFQ0.72
2823-methoxypyridineX2RBZ0.86
3MP3-METHYLPYRIDINEA1EUB0.71
3MP3-METHYLPYRIDINEA1BM60.71
7213-butoxy-1-(2,2-diphosphonoethyl)pyridiniumA,B3DYH0.75
APY2-AMINOMETHYL-PYRIDINEA,B,I1HIV0.71
APY2-AMINOMETHYL-PYRIDINEI1IVP0.71