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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00013090

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
CXS3-CYCLOHEXYL-1-PROPYLSULFONIC ACIDA,B,C,D2WAX0.81
CXS3-CYCLOHEXYL-1-PROPYLSULFONIC ACIDX1Z700.81
CXS3-CYCLOHEXYL-1-PROPYLSULFONIC ACIDA,B2DD70.81
CXS3-CYCLOHEXYL-1-PROPYLSULFONIC ACIDA,B2HL60.81
CXS3-CYCLOHEXYL-1-PROPYLSULFONIC ACIDB2A260.81
CXS3-CYCLOHEXYL-1-PROPYLSULFONIC ACIDA2FKA0.81
CXS3-CYCLOHEXYL-1-PROPYLSULFONIC ACIDH2VXV0.81
CXS3-CYCLOHEXYL-1-PROPYLSULFONIC ACIDA1RZL0.81
CXS3-CYCLOHEXYL-1-PROPYLSULFONIC ACIDA2A320.81
CXS3-CYCLOHEXYL-1-PROPYLSULFONIC ACIDA,B1Y560.81
CXS3-CYCLOHEXYL-1-PROPYLSULFONIC ACIDH,K,L,M,P,R1N0X0.81
CXS3-CYCLOHEXYL-1-PROPYLSULFONIC ACIDA,B,C,D2BJ00.81
CXS3-CYCLOHEXYL-1-PROPYLSULFONIC ACIDA2IMF0.81
CXS3-CYCLOHEXYL-1-PROPYLSULFONIC ACIDA2BK90.81
CXS3-CYCLOHEXYL-1-PROPYLSULFONIC ACIDA2FLK0.81
CXS3-CYCLOHEXYL-1-PROPYLSULFONIC ACIDA2IME0.81
CXS3-CYCLOHEXYL-1-PROPYLSULFONIC ACIDA2IMD0.81
CXS3-CYCLOHEXYL-1-PROPYLSULFONIC ACIDA,B2IX90.81
CXS3-CYCLOHEXYL-1-PROPYLSULFONIC ACIDA,B,C,D2DD90.81
CXS3-CYCLOHEXYL-1-PROPYLSULFONIC ACIDA,B,C,D,E,F,
G,H
2QGQ0.81
CXS3-CYCLOHEXYL-1-PROPYLSULFONIC ACIDX1Y1J0.81
250(2R)-2-hydroxy-3-[4-(2-hydroxyethyl)piperazin-
1-yl]propane-1-sulfonic acid
A2QZS0.71
250(2R)-2-hydroxy-3-[4-(2-hydroxyethyl)piperazin-
1-yl]propane-1-sulfonic acid
A3CX40.71
250(2R)-2-hydroxy-3-[4-(2-hydroxyethyl)piperazin-
1-yl]propane-1-sulfonic acid
A3GUH0.71
250(2R)-2-hydroxy-3-[4-(2-hydroxyethyl)piperazin-
1-yl]propane-1-sulfonic acid
A2R4U0.71
250(2R)-2-hydroxy-3-[4-(2-hydroxyethyl)piperazin-
1-yl]propane-1-sulfonic acid
A2R4T0.71
250(2R)-2-hydroxy-3-[4-(2-hydroxyethyl)piperazin-
1-yl]propane-1-sulfonic acid
A3COP0.71
NES2-(2-HYDROXY-1,1-DIHYDROXYMETHYL-
ETHYLAMINO)-ETHANESULFONIC ACID
A1ELV0.74
NES2-(2-HYDROXY-1,1-DIHYDROXYMETHYL-
ETHYLAMINO)-ETHANESULFONIC ACID
L1YNL0.74
NHE2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACIDA2VW20.81
NHE2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACIDA1R6L0.81
NHE2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACIDA,B2D0U0.81
NHE2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACIDA3E9Y0.81
NHE2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACIDA1L5B0.81
NHE2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACIDA,B3CGG0.81
NHE2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACIDA2QVN0.81
NHE2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACIDA,B1H9X0.81
NHE2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACIDA1YI10.81
NHE2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACIDA,B2VSY0.81
NHE2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACIDA1P7J0.81
NHE2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACIDA1YI00.81
NHE2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACIDA1Z8N0.81
NHE2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACIDA,B3GXZ0.81
NHE2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACIDA1Q1Q0.81
NHE2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACIDA,B2D0T0.81
NHE2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACIDA,B3ESL0.81
NHE2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACIDA1YHY0.81
NHE2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACIDA,J3D3B0.81
NHE2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACIDA3GQ90.81
NHE2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACIDA1YBH0.81
NHE2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACIDA,B,C,D3G8W0.81
NHE2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACIDA3GQ80.81
NHE2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACIDA1P7I0.81
NHE2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACIDC2CUK0.81
NHE2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACIDA,B2ITE0.81
NHE2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACIDA,B3GXY0.81
NHE2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACIDA1YHZ0.81
NHE2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACIDA1OKS0.81
NHE2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACIDB1ZHH0.81
NHE2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACIDA3EA40.81
NHE2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACIDA,B,C,D2DSY0.81
NHE2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACIDA,B2ICH0.81
NHE2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACIDA1V300.81
T3AN-(TRIS(HYDROXYMETHYL)METHYL)-3-
AMINOPROPANESULFONIC ACID
A,B2R460.77
T3AN-(TRIS(HYDROXYMETHYL)METHYL)-3-
AMINOPROPANESULFONIC ACID
A,B2R4E0.77
T3AN-(TRIS(HYDROXYMETHYL)METHYL)-3-
AMINOPROPANESULFONIC ACID
A1ZDY0.77
T3AN-(TRIS(HYDROXYMETHYL)METHYL)-3-
AMINOPROPANESULFONIC ACID
A,B2R450.77