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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02398320

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,B2PUI0.76
CPS3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-
1-PROPANESULFONATE
C1O910.76
CPS3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-
1-PROPANESULFONATE
A,B,C,D1XU90.76
CPS3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-
1-PROPANESULFONATE
A,B3CZR0.76
CPS3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-
1-PROPANESULFONATE
A3CIX0.76
CPS3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-
1-PROPANESULFONATE
A,B2PUN0.76
CPS3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-
1-PROPANESULFONATE
A,B,C,D,E,F,
G,H
1IRJ0.76
CPS3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-
1-PROPANESULFONATE
A1GR30.76
CPS3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-
1-PROPANESULFONATE
A2OQO0.76
CPS3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-
1-PROPANESULFONATE
A1VK50.76
CPS3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-
1-PROPANESULFONATE
A,B2PUP0.76
CPS3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-
1-PROPANESULFONATE
A,B2OLC0.76
CPS3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-
1-PROPANESULFONATE
A,B,C,D,E,F1HV50.76
CPS3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-
1-PROPANESULFONATE
A3CIW0.76
CPS3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-
1-PROPANESULFONATE
A,B2PUL0.76
CPS3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-
1-PROPANESULFONATE
A,B,C,D1XU70.76
CPS3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-
1-PROPANESULFONATE
A,B1EX40.76
CPS3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-
1-PROPANESULFONATE
A,B,D1F6A0.76
CPS3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-
1-PROPANESULFONATE
A1XJI0.76
CPS3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-
1-PROPANESULFONATE
A2Q3T0.76
CPS3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-
1-PROPANESULFONATE
A1PUC0.76
CPS3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-
1-PROPANESULFONATE
A2PU80.76
TCHTAUROCHOLIC ACIDA,B,C2DR00.79
TCHTAUROCHOLIC ACIDA,B1AQL0.79
TCHTAUROCHOLIC ACIDA2AZZ0.79
TCHTAUROCHOLIC ACIDA1O1V0.79
CPQN,N-BIS(3-D-GLUCONAMIDOPROPYL)DEOXYCHOLAMIDEA2REW0.71
CPQN,N-BIS(3-D-GLUCONAMIDOPROPYL)DEOXYCHOLAMIDEA1IMX0.71
CPQN,N-BIS(3-D-GLUCONAMIDOPROPYL)DEOXYCHOLAMIDEA1I7G0.71
GCHGLYCOCHOLIC ACIDA2B000.82
GCHGLYCOCHOLIC ACIDA1EIO0.82
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,B1UZ90.79
CHOGLYCOCHENODEOXYCHOLIC ACIDA,B1FMC0.82
CHOGLYCOCHENODEOXYCHOLIC ACIDA,B1AHI0.82
CHOGLYCOCHENODEOXYCHOLIC ACIDA2B040.82
ITL(3alpha,5alpha,8alpha)-3-[(N,N-
bis{2-[bis(carboxymethyl)amino]ethyl}-
L-gamma-glutamyl)amino]cholan-24-
oic acid
A2K620.7
TUDTAUROCHENODEOXYCHOLIC ACIDA2B010.79
TUDTAUROCHENODEOXYCHOLIC ACIDA2B030.79