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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02382750

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
NIR3-(AMINOCARBONYL)-1-[(3R,4S,5R)-
3,4-DIHYDROXY-5-METHYLTETRAHYDRO-
2-FURANYL]PYRIDINIUM
A,B,C,D1GZF0.71
18CN-((E,2S,3R)-1,3-DIHYDROXYOCTADEC-
4-EN-2-YL)STEARAMIDE
A2E3Q0.76
18CN-((E,2S,3R)-1,3-DIHYDROXYOCTADEC-
4-EN-2-YL)STEARAMIDE
A,B2E3R0.76
BEUN-[(1S,2R,5R,6R)-2-AMINO-5,6-DIHYDROXY-
4-(HYDROXYMETHYL)CYCLOHEX-3-EN-
1-YL]ACETAMIDE
A,B2JIW0.73
16CN-((E,2S,3R)-1,3-DIHYDROXYOCTADEC-
4-EN-2-YL)PALMITAMIDE
A2OSX0.76
16CN-((E,2S,3R)-1,3-DIHYDROXYOCTADEC-
4-EN-2-YL)PALMITAMIDE
A2E3O0.76
16CN-((E,2S,3R)-1,3-DIHYDROXYOCTADEC-
4-EN-2-YL)PALMITAMIDE
A,B2E3P0.76
GDT(2E,4E)-N-[(2S,3R)-3-hydroxy-1-
[[(3Z,5S,8S,10S)-10-hydroxy-5-methyl-
2,7-dioxo-1,6-diazacyclododec-3-
en-8-yl]amino]-1-oxobutan-2-yl]dodeca-
2,4-dienamide
H,K,V,Y3BDM0.73
SPLOCTANOIC ACID (2-HYDROXY-1-HYDROXYMETHYL-
HEPTADEC-3-ENYL)-AMIDE
A1MQT0.77
2EDN-[(1R,2R,3E)-2-hydroxy-1-(hydroxymethyl)heptadec-
3-en-1-yl]acetamide
A,B2ZXC0.73
6CMN-((E,2S,3R)-1,3-DIHYDROXYOCTADEC-
4-EN-2-YL)HEXANAMIDE
A2E3N0.78