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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02622361

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
CPS3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-
1-PROPANESULFONATE
A,B2PUI0.94
CPS3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-
1-PROPANESULFONATE
C1O910.94
CPS3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-
1-PROPANESULFONATE
A,B,C,D1XU90.94
CPS3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-
1-PROPANESULFONATE
A,B3CZR0.94
CPS3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-
1-PROPANESULFONATE
A3CIX0.94
CPS3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-
1-PROPANESULFONATE
A,B2PUN0.94
CPS3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-
1-PROPANESULFONATE
A,B,C,D,E,F,
G,H
1IRJ0.94
CPS3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-
1-PROPANESULFONATE
A1GR30.94
CPS3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-
1-PROPANESULFONATE
A2OQO0.94
CPS3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-
1-PROPANESULFONATE
A1VK50.94
CPS3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-
1-PROPANESULFONATE
A,B2PUP0.94
CPS3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-
1-PROPANESULFONATE
A,B2OLC0.94
CPS3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-
1-PROPANESULFONATE
A,B,C,D,E,F1HV50.94
CPS3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-
1-PROPANESULFONATE
A3CIW0.94
CPS3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-
1-PROPANESULFONATE
A,B2PUL0.94
CPS3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-
1-PROPANESULFONATE
A,B,C,D1XU70.94
CPS3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-
1-PROPANESULFONATE
A,B1EX40.94
CPS3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-
1-PROPANESULFONATE
A,B,D1F6A0.94
CPS3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-
1-PROPANESULFONATE
A1XJI0.94
CPS3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-
1-PROPANESULFONATE
A2Q3T0.94
CPS3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-
1-PROPANESULFONATE
A1PUC0.94
CPS3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-
1-PROPANESULFONATE
A2PU80.94
CPQN,N-BIS(3-D-GLUCONAMIDOPROPYL)DEOXYCHOLAMIDEA2REW0.71
CPQN,N-BIS(3-D-GLUCONAMIDOPROPYL)DEOXYCHOLAMIDEA1IMX0.71
CPQN,N-BIS(3-D-GLUCONAMIDOPROPYL)DEOXYCHOLAMIDEA1I7G0.71
CHOGLYCOCHENODEOXYCHOLIC ACIDA,B1FMC0.81
CHOGLYCOCHENODEOXYCHOLIC ACIDA,B1AHI0.81
CHOGLYCOCHENODEOXYCHOLIC ACIDA2B040.81
GCHGLYCOCHOLIC ACIDA2B000.81
GCHGLYCOCHOLIC ACIDA1EIO0.81
TUDTAUROCHENODEOXYCHOLIC ACIDA2B010.97
TUDTAUROCHENODEOXYCHOLIC ACIDA2B030.97
TCHTAUROCHOLIC ACIDA,B,C2DR00.97
TCHTAUROCHOLIC ACIDA,B1AQL0.97
TCHTAUROCHOLIC ACIDA2AZZ0.97
TCHTAUROCHOLIC ACIDA1O1V0.97
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,B1UZ90.75