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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03914210

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
SPZ(3S,3'S)-N~1~,N~1~'-butane-1,4-
diyldibutane-1,3-diamine
A,B3BNU0.72
P241-(AMINOETHYL)AMINO-4-AMINOBUTANEB1O9M0.71
P241-(AMINOETHYL)AMINO-4-AMINOBUTANEA,B292D0.71
16ACETYL-TRIMETHYL-AMMONIUMA3HF00.74
16ACETYL-TRIMETHYL-AMMONIUMA,B,C,D1KPG0.74
16ACETYL-TRIMETHYL-AMMONIUMA1TPY0.74
A71(6-AMINOHEXYLAMINE)(TRIAMMINE) PLATINUM(II) COMPLEXA,B2DYW0.72
CATDODECANE-TRIMETHYLAMINEA,B2SHP0.76
DIPDIPENTYLAMINEC,D1A1B0.84
DIPDIPENTYLAMINEC,D1A070.84
DIPDIPENTYLAMINEC,D1A1A0.84
DIPDIPENTYLAMINEC,D1A080.84
DIPDIPENTYLAMINEC,D1A090.84
10ADIDECYL-DIMETHYL-AMMONIUMA,B,C,D1KPH0.71
10ADIDECYL-DIMETHYL-AMMONIUMA1KPI0.71
B33N-ETHYL-N-[3-(PROPYLAMINO)PROPYL]PROPANE-
1,3-DIAMINE
A,B2B4B0.76
SPKSPERMINE (FULLY PROTONATED FORM)A,B1SE60.74
SPKSPERMINE (FULLY PROTONATED FORM)B1MG90.74
SPKSPERMINE (FULLY PROTONATED FORM)A1Y0Q0.74
SPKSPERMINE (FULLY PROTONATED FORM)A,B1KGK0.74
GC71-GUANIDINIUM-7-AMINOHEPTANEA,B1RQD0.83
A72TRANS-BIS(HEXYLAMINE)-(DIAMMINE) PLATINUM(II) COMPLEXA,B2DYW0.76
DIY5-BUTYLPIPERIDINEC,D1A1E0.75
SPDSPERMIDINE1,2,3,41POY0.73
SPDSPERMIDINEA,B3BXZ0.73
SPDSPERMIDINEA2ELG0.73
SPDSPERMIDINEA,B,C2PWP0.73
SPDSPERMIDINEA,B1BO40.73
SPDSPERMIDINEA,B,C,D3C6K0.73
SPDSPERMIDINEA,B2O070.73
SPDSPERMIDINEA2P1E0.73
SPDSPERMIDINEA,B293D0.73
SPDSPERMIDINEA,B1TYP0.73
SPDSPERMIDINEA,B,C,D2QBY0.73
SPDSPERMIDINEA,B3CN80.73
SPDSPERMIDINEA1U8D0.73
SPDSPERMIDINEA2P180.73
SPDSPERMIDINEA,B2HMP0.73
SPDSPERMIDINED1I2X0.73
SPDSPERMIDINEA1POT0.73
16DHEXANE-1,6-DIAMINEA,B,C2QK90.74
16DHEXANE-1,6-DIAMINEA,B,C,D,E,F1WOG0.74
297dodecane-1,12-diamineA,B3BI20.84
DREN-(6-AMINOHEXYL)HEXANE-1,6-DIAMINEA,B1Z6L0.88
HPLHEPTYLFORMAMIDEA,B1U3V0.76
FXY1-METHYLHEPTYLFORMAMIDEA,B1U3W0.75
SPWN,N'-BIS(3-AMMONIOPROPYL)BUTANE-
1,4-DIAMINIUM
A1V9G0.74
NMH(R)-N-(1-METHYL-HEXYL)-FORMAMIDEA,B,C,D1P1R0.73
SPMSPERMINEA,B1RH00.74
SPMSPERMINEA1ICK0.74
SPMSPERMINEA,B,D198D0.74
SPMSPERMINEA,B1RGT0.74
SPMSPERMINEA,B1Y840.74
SPMSPERMINEA2O3Y0.74
SPMSPERMINEA100D0.74
SPMSPERMINEA,B,C,D3EUI0.74
SPMSPERMINEA,B1FQ20.74
SPMSPERMINEB320D0.74
SPMSPERMINEA,B,C,D1XPQ0.74
SPMSPERMINEA,B,C,D,E,F2C120.74
SPMSPERMINEA1M690.74
SPMSPERMINEA1WOE0.74
SPMSPERMINEA,B1DCR0.74
SPMSPERMINEA,B323D0.74
SPMSPERMINEA,B326D0.74
SPMSPERMINEA1D120.74
SPMSPERMINEA211D0.74
SPMSPERMINEA,B355D0.74
SPMSPERMINEA,B1XPF0.74
SPMSPERMINEA,B1I1P0.74
SPMSPERMINEA1DNS0.74
SPMSPERMINEA,B2B2B0.74
SPMSPERMINEA,B1RG10.74
SPMSPERMINEA,B,C,D258D0.74
SPMSPERMINEA,B1RFF0.74
SPMSPERMINEA,B1EI40.74
SPMSPERMINEB,D1F6C0.74
SPMSPERMINEA,B1Y8L0.74
SPMSPERMINEA,B1FUF0.74
SPMSPERMINEA,B2F8W0.74
SPMSPERMINEA,B131D0.74
SPMSPERMINEA,B,C,D,E,F,
G,H
1N7A0.74
SPMSPERMINEA1Z7I0.74
SPMSPERMINEA,B2RF30.74
SPMSPERMINEA,B324D0.74
SPMSPERMINEA,B1DPL0.74
SPMSPERMINEA,B1PWF0.74
SPMSPERMINEB2PL80.74
SPMSPERMINEA,B,C,D3BJ80.74
SPMSPERMINEA248D0.74
SPMSPERMINEA,B1RFI0.74
SPMSPERMINEA,B2B8J0.74
SPMSPERMINEA1D100.74
SPMSPERMINEA,B1RGU0.74
SPMSPERMINEA,B428D0.74
SPMSPERMINEA1D480.74
SPMSPERMINEA1I0T0.74
SPMSPERMINED1I2Y0.74
SPMSPERMINEA,B1RG20.74
SPMSPERMINEA,B1YB90.74
SPMSPERMINEA2TRA0.74
SPMSPERMINEA,B1VRO0.74
SPMSPERMINEA206D0.74
SPMSPERMINEB1OFX0.74
SPMSPERMINEA210D0.74
SPMSPERMINEA2GWA0.74
SPMSPERMINEA321D0.74
SPMSPERMINEA,B1S2R0.74
SPMSPERMINEA,B2DCG0.74
SPMSPERMINEA,B2GUN0.74
SPMSPERMINEB2PLB0.74
SPMSPERMINEA,B1EDR0.74
SPMSPERMINEA,B,C,D1J8G0.74
SPMSPERMINEA,B,C,D,E,F,
G,H
1N7B0.74
SPMSPERMINEA,B1Z5T0.74
SPMSPERMINEA1TN20.74
SPMSPERMINEA2D470.74
SPMSPERMINEA1EVV0.74
SPMSPERMINEA,B1XL60.74
SPMSPERMINEA,B410D0.74
SPMSPERMINEA1D150.74
SPMSPERMINEA,B,C3B7P0.74
SPMSPERMINEA,B,C,D3C6M0.74
DIAOCTANE 1,8-DIAMINEA,B3BI50.84
DIAOCTANE 1,8-DIAMINEA,B,C1H830.84
2EP2-ETHYLPIPERIDINEH,I1A4W0.73
TERN-(3-AMINO-PROPYL)-N-(5-AMINOPROPYL)-
1,4-DIAMINOBUTANE
A,B336D0.74
DIXMETHYL(CYCLOPENTYL-PROPYL)AMINEC,D1A1C0.79
SPETHERMINEA,B319D0.71
N3DN-methylpropane-1,3-diamineA,B3EY20.72
DMEDECAMETHONIUM IONA,B,C,D1MAA0.76
DMEDECAMETHONIUM IONA1ACL0.76
SPJ(3R,3'R)-N~1~,N~1~'-butane-1,4-
diyldibutane-1,3-diamine
A,B3BNM0.72