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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00454871

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
FPRPROPYLBENZENEC1RHK0.73
HZH1,1,1-trifluoro-3-[(2-phenylethyl)sulfanyl]propan-
2-one
A,B3DEA0.76
PTF[(METHYLSULFANYL)METHYL]BENZENEC,F1RHQ0.85
MBNTOLUENEA,B3D7O0.72
MBNTOLUENEA,B1R1X0.72
MBNTOLUENEA,B1JLX0.72
MBNTOLUENEA,B,C,D3D170.72
MBNTOLUENEA,B2VRL0.72
MBNTOLUENEA,I2Z3E0.72
MBNTOLUENEA,B1YZI0.72
MBNTOLUENEA,B2DN10.72
MBNTOLUENEA,B3EN10.72
2HRHEXYLPHOSPHONIC ACID (R)-2-METHYL-
3-PHENYLPROPYL ESTER
X1YS10.73
PXYPARA-XYLENEA187L0.73
PXYPARA-XYLENEA225L0.73
2HSHEXYLPHOSPHONIC ACID (S)-2-METHYL-
3-PHENYLPROPYL ESTER
X1YS20.73
IBZ2-IODOBENZYLTHIO GROUPA,B1CEL0.72
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1DPM0.78
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1P6B0.78
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1PSC0.78
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B3E3H0.78
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1QW70.78
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1P6C0.78
TOSP-SULFINOTOLUENEH1ETT0.71
TOSP-SULFINOTOLUENEI4PAD0.71
TOSP-SULFINOTOLUENEA1EST0.71
TOSP-SULFINOTOLUENEC,G2CHA0.71
TOSP-SULFINOTOLUENEE1PPH0.71
PMSBENZYLSULFINIC ACIDB1PNM0.77
PMSBENZYLSULFINIC ACIDA,B1SH70.77
PMSBENZYLSULFINIC ACIDB,C1BB00.77
PMSBENZYLSULFINIC ACIDA,B1S2N0.77
PMSBENZYLSULFINIC ACIDA,B1WB80.77
PMSBENZYLSULFINIC ACIDA,B,C3CE40.77
PMSBENZYLSULFINIC ACIDA,B1Y9Z0.77
PMSBENZYLSULFINIC ACIDA3H180.77
PMSBENZYLSULFINIC ACIDA3H170.77
PMSBENZYLSULFINIC ACIDA2CBG0.77
PMSBENZYLSULFINIC ACIDA1SUP0.77
PMSBENZYLSULFINIC ACIDA,B1V6C0.77
PMSBENZYLSULFINIC ACIDA,B1WPR0.77
PMSBENZYLSULFINIC ACIDA,B1EQ90.77
PMSBENZYLSULFINIC ACIDA,B1AUR0.77
PMSBENZYLSULFINIC ACIDA1KLT0.77
PMSBENZYLSULFINIC ACIDB,C1CA80.77
PMSBENZYLSULFINIC ACIDA2GKO0.77
PMSBENZYLSULFINIC ACIDB,C,D1BA80.77
PYLPHENYLETHANEC1B070.73
PYLPHENYLETHANEA,B2VRM0.73
PYLPHENYLETHANEA1NHB0.73
I4BISOBUTYLBENZENEA184L0.71
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidA1OS00.73
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidE,I4TMN0.73
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidS1CGH0.73
N4BN-BUTYLBENZENEA186L0.73
OXEORTHO-XYLENEA,B3E0X0.71
OXEORTHO-XYLENEA188L0.71
787(PHENYL-PHOSPHONO-METHYL)-PHOSPHONIC ACIDA1O4R0.82
FEP[(4-{4-[4-(DIFLUORO-PHOSPHONO-METHYL)-
PHENYL]-BUTYL}-PHENYL)-DIFLUORO-
METHYL]-PHOSPHONIC ACID
A1KAV0.7
B70tripotassium (1R)-4-biphenyl-4-
yl-1-phosphonatobutane-1-sulfonate
A2ZCS0.76
SEHS-BENZYL PHENYLACETOTHIOHYDROXIMATE-
O-SULFATE
M1W9D0.76
B69A2ZCR0.77
PBAPHENYLETHANE BORONIC ACIDC,G6CHA0.75