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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02415958

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
ITL(3alpha,5alpha,8alpha)-3-[(N,N-
bis{2-[bis(carboxymethyl)amino]ethyl}-
L-gamma-glutamyl)amino]cholan-24-
oic acid
A2K620.76
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
TUDTAUROCHENODEOXYCHOLIC ACIDA2B010.72
TUDTAUROCHENODEOXYCHOLIC ACIDA2B030.72
CHOGLYCOCHENODEOXYCHOLIC ACIDA,B1FMC0.78
CHOGLYCOCHENODEOXYCHOLIC ACIDA,B1AHI0.78
CHOGLYCOCHENODEOXYCHOLIC ACIDA2B040.78
TCHTAUROCHOLIC ACIDA,B,C2DR00.72
TCHTAUROCHOLIC ACIDA,B1AQL0.72
TCHTAUROCHOLIC ACIDA2AZZ0.72
TCHTAUROCHOLIC ACIDA1O1V0.72
CPS3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-
1-PROPANESULFONATE
A,B2PUI0.73
CPS3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-
1-PROPANESULFONATE
C1O910.73
CPS3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-
1-PROPANESULFONATE
A,B,C,D1XU90.73
CPS3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-
1-PROPANESULFONATE
A,B3CZR0.73
CPS3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-
1-PROPANESULFONATE
A3CIX0.73
CPS3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-
1-PROPANESULFONATE
A,B2PUN0.73
CPS3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-
1-PROPANESULFONATE
A,B,C,D,E,F,
G,H
1IRJ0.73
CPS3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-
1-PROPANESULFONATE
A1GR30.73
CPS3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-
1-PROPANESULFONATE
A2OQO0.73
CPS3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-
1-PROPANESULFONATE
A1VK50.73
CPS3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-
1-PROPANESULFONATE
A,B2PUP0.73
CPS3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-
1-PROPANESULFONATE
A,B2OLC0.73
CPS3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-
1-PROPANESULFONATE
A,B,C,D,E,F1HV50.73
CPS3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-
1-PROPANESULFONATE
A3CIW0.73
CPS3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-
1-PROPANESULFONATE
A,B2PUL0.73
CPS3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-
1-PROPANESULFONATE
A,B,C,D1XU70.73
CPS3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-
1-PROPANESULFONATE
A,B1EX40.73
CPS3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-
1-PROPANESULFONATE
A,B,D1F6A0.73
CPS3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-
1-PROPANESULFONATE
A1XJI0.73
CPS3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-
1-PROPANESULFONATE
A2Q3T0.73
CPS3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-
1-PROPANESULFONATE
A1PUC0.73
CPS3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-
1-PROPANESULFONATE
A2PU80.73
GCHGLYCOCHOLIC ACIDA2B000.78
GCHGLYCOCHOLIC ACIDA1EIO0.78