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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00032508

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
TCHTAUROCHOLIC ACIDA,B,C2DR00.71
TCHTAUROCHOLIC ACIDA,B1AQL0.71
TCHTAUROCHOLIC ACIDA2AZZ0.71
TCHTAUROCHOLIC ACIDA1O1V0.71
UZ9(2S)-2-AMINO-6-({(4R)-4-[(10R,13S)-
10,13-DIMETHYL-3-OXOHEXADECAHYDRO-
1H-CYCLOPENTA[A]PHENANTHREN-17-
YL]PENTANOYL}AMINO)HEXANOIC ACID
A,B1UZ90.76
CPQN,N-BIS(3-D-GLUCONAMIDOPROPYL)DEOXYCHOLAMIDEA2REW0.72
CPQN,N-BIS(3-D-GLUCONAMIDOPROPYL)DEOXYCHOLAMIDEA1IMX0.72
CPQN,N-BIS(3-D-GLUCONAMIDOPROPYL)DEOXYCHOLAMIDEA1I7G0.72
CHOGLYCOCHENODEOXYCHOLIC ACIDA,B1FMC0.77
CHOGLYCOCHENODEOXYCHOLIC ACIDA,B1AHI0.77
CHOGLYCOCHENODEOXYCHOLIC ACIDA2B040.77
CPS3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-
1-PROPANESULFONATE
A,B2PUI0.72
CPS3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-
1-PROPANESULFONATE
C1O910.72
CPS3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-
1-PROPANESULFONATE
A,B,C,D1XU90.72
CPS3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-
1-PROPANESULFONATE
A,B3CZR0.72
CPS3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-
1-PROPANESULFONATE
A3CIX0.72
CPS3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-
1-PROPANESULFONATE
A,B2PUN0.72
CPS3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-
1-PROPANESULFONATE
A,B,C,D,E,F,
G,H
1IRJ0.72
CPS3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-
1-PROPANESULFONATE
A1GR30.72
CPS3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-
1-PROPANESULFONATE
A2OQO0.72
CPS3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-
1-PROPANESULFONATE
A1VK50.72
CPS3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-
1-PROPANESULFONATE
A,B2PUP0.72
CPS3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-
1-PROPANESULFONATE
A,B2OLC0.72
CPS3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-
1-PROPANESULFONATE
A,B,C,D,E,F1HV50.72
CPS3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-
1-PROPANESULFONATE
A3CIW0.72
CPS3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-
1-PROPANESULFONATE
A,B2PUL0.72
CPS3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-
1-PROPANESULFONATE
A,B,C,D1XU70.72
CPS3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-
1-PROPANESULFONATE
A,B1EX40.72
CPS3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-
1-PROPANESULFONATE
A,B,D1F6A0.72
CPS3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-
1-PROPANESULFONATE
A1XJI0.72
CPS3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-
1-PROPANESULFONATE
A2Q3T0.72
CPS3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-
1-PROPANESULFONATE
A1PUC0.72
CPS3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-
1-PROPANESULFONATE
A2PU80.72
AR9(2R,4S)-N-butyl-4-[(2S,5S,7R)-2,7-
dimethyl-3,15-dioxo-1,4-diazacyclopentadecan-
5-yl]-4-hydroxy-2-methylbutanamide
A,B,C3DV10.72
GCHGLYCOCHOLIC ACIDA2B000.77
GCHGLYCOCHOLIC ACIDA1EIO0.77
TUDTAUROCHENODEOXYCHOLIC ACIDA2B010.71
TUDTAUROCHENODEOXYCHOLIC ACIDA2B030.71