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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02422759

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
F21(3R)-3-(FLUOROMETHYL)-7-(THIOMORPHOLIN-
4-YLSULFONYL)-1,2,3,4-TETRAHYDROISOQUINOLINE
A,B2G720.8
F21(3R)-3-(FLUOROMETHYL)-7-(THIOMORPHOLIN-
4-YLSULFONYL)-1,2,3,4-TETRAHYDROISOQUINOLINE
A,B2OPB0.8
1PC1-(PHENYL-1-CYCLOHEXYL)PIPERIDINEB,C2PCP0.74
DSY5-(DIMETHYLAMINO)-2-NAPHTHALENESULFONIC ACIDC,D1BDA0.73
FTS(3R)-3-(FLUOROMETHYL)-N-(3,3,3-
TRIFLUOROPROPYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-
7-SULFONAMIDE
A,B2G710.79
DMX3-[BENZYL(DIMETHYL)AMMONIO]PROPANE-
1-SULFONATE
A,B,C,D1TP70.75
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B2OUA0.7
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B,C,D2AJC0.7
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B3PRO0.7
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B2PFE0.7
ANS5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONIC ACID(DANSYL ACID)H,J1CVW0.74
ANS5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONIC ACID(DANSYL ACID)H,I1A4W0.74
ANS5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONIC ACID(DANSYL ACID)H,I1FPC0.74
SKF1,2,3,4-TETRAHYDRO-ISOQUINOLINE-
7-SULFONIC ACID AMIDE
A,B1HNN0.8
34T(3R)-8-(dioxidosulfanyl)-3-methyl-
1,2,3,4-tetrahydroquinoline
H1ETR0.73