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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00025182

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,B3BNU0.77
TERN-(3-AMINO-PROPYL)-N-(5-AMINOPROPYL)-
1,4-DIAMINOBUTANE
A,B336D0.79
P241-(AMINOETHYL)AMINO-4-AMINOBUTANEB1O9M0.76
P241-(AMINOETHYL)AMINO-4-AMINOBUTANEA,B292D0.76
HPLHEPTYLFORMAMIDEA,B1U3V0.72
MD2N,N'-BIS(2,3-BUTADIENYL)-1,4-BUTANE-
DIAMINE
A,B,C1B5Q0.72
A71(6-AMINOHEXYLAMINE)(TRIAMMINE) PLATINUM(II) COMPLEXA,B2DYW0.72
SPDSPERMIDINE1,2,3,41POY0.78
SPDSPERMIDINEA,B3BXZ0.78
SPDSPERMIDINEA2ELG0.78
SPDSPERMIDINEA,B,C2PWP0.78
SPDSPERMIDINEA,B1BO40.78
SPDSPERMIDINEA,B,C,D3C6K0.78
SPDSPERMIDINEA,B2O070.78
SPDSPERMIDINEA2P1E0.78
SPDSPERMIDINEA,B293D0.78
SPDSPERMIDINEA,B1TYP0.78
SPDSPERMIDINEA,B,C,D2QBY0.78
SPDSPERMIDINEA,B3CN80.78
SPDSPERMIDINEA1U8D0.78
SPDSPERMIDINEA2P180.78
SPDSPERMIDINEA,B2HMP0.78
SPDSPERMIDINED1I2X0.78
SPDSPERMIDINEA1POT0.78
CATDODECANE-TRIMETHYLAMINEA,B2SHP0.71
PIPPIPERIDINEH1ETS0.74
PIPPIPERIDINEH1ETT0.74
PIPPIPERIDINEE,I1PPC0.74
PIPPIPERIDINEI1QUR0.74
PIPPIPERIDINEE1PPH0.74
B33N-ETHYL-N-[3-(PROPYLAMINO)PROPYL]PROPANE-
1,3-DIAMINE
A,B2B4B0.81
10ADIDECYL-DIMETHYL-AMMONIUMA,B,C,D1KPH0.71
10ADIDECYL-DIMETHYL-AMMONIUMA1KPI0.71
SPMSPERMINEA,B1RH00.79
SPMSPERMINEA1ICK0.79
SPMSPERMINEA,B,D198D0.79
SPMSPERMINEA,B1RGT0.79
SPMSPERMINEA,B1Y840.79
SPMSPERMINEA2O3Y0.79
SPMSPERMINEA100D0.79
SPMSPERMINEA,B,C,D3EUI0.79
SPMSPERMINEA,B1FQ20.79
SPMSPERMINEB320D0.79
SPMSPERMINEA,B,C,D1XPQ0.79
SPMSPERMINEA,B,C,D,E,F2C120.79
SPMSPERMINEA1M690.79
SPMSPERMINEA1WOE0.79
SPMSPERMINEA,B1DCR0.79
SPMSPERMINEA,B323D0.79
SPMSPERMINEA,B326D0.79
SPMSPERMINEA1D120.79
SPMSPERMINEA211D0.79
SPMSPERMINEA,B355D0.79
SPMSPERMINEA,B1XPF0.79
SPMSPERMINEA,B1I1P0.79
SPMSPERMINEA1DNS0.79
SPMSPERMINEA,B2B2B0.79
SPMSPERMINEA,B1RG10.79
SPMSPERMINEA,B,C,D258D0.79
SPMSPERMINEA,B1RFF0.79
SPMSPERMINEA,B1EI40.79
SPMSPERMINEB,D1F6C0.79
SPMSPERMINEA,B1Y8L0.79
SPMSPERMINEA,B1FUF0.79
SPMSPERMINEA,B2F8W0.79
SPMSPERMINEA,B131D0.79
SPMSPERMINEA,B,C,D,E,F,
G,H
1N7A0.79
SPMSPERMINEA1Z7I0.79
SPMSPERMINEA,B2RF30.79
SPMSPERMINEA,B324D0.79
SPMSPERMINEA,B1DPL0.79
SPMSPERMINEA,B1PWF0.79
SPMSPERMINEB2PL80.79
SPMSPERMINEA,B,C,D3BJ80.79
SPMSPERMINEA248D0.79
SPMSPERMINEA,B1RFI0.79
SPMSPERMINEA,B2B8J0.79
SPMSPERMINEA1D100.79
SPMSPERMINEA,B1RGU0.79
SPMSPERMINEA,B428D0.79
SPMSPERMINEA1D480.79
SPMSPERMINEA1I0T0.79
SPMSPERMINED1I2Y0.79
SPMSPERMINEA,B1RG20.79
SPMSPERMINEA,B1YB90.79
SPMSPERMINEA2TRA0.79
SPMSPERMINEA,B1VRO0.79
SPMSPERMINEA206D0.79
SPMSPERMINEB1OFX0.79
SPMSPERMINEA210D0.79
SPMSPERMINEA2GWA0.79
SPMSPERMINEA321D0.79
SPMSPERMINEA,B1S2R0.79
SPMSPERMINEA,B2DCG0.79
SPMSPERMINEA,B2GUN0.79
SPMSPERMINEB2PLB0.79
SPMSPERMINEA,B1EDR0.79
SPMSPERMINEA,B,C,D1J8G0.79
SPMSPERMINEA,B,C,D,E,F,
G,H
1N7B0.79
SPMSPERMINEA,B1Z5T0.79
SPMSPERMINEA1TN20.79
SPMSPERMINEA2D470.79
SPMSPERMINEA1EVV0.79
SPMSPERMINEA,B1XL60.79
SPMSPERMINEA,B410D0.79
SPMSPERMINEA1D150.79
SPMSPERMINEA,B,C3B7P0.79
SPMSPERMINEA,B,C,D3C6M0.79
SPWN,N'-BIS(3-AMMONIOPROPYL)BUTANE-
1,4-DIAMINIUM
A1V9G0.79
A72TRANS-BIS(HEXYLAMINE)-(DIAMMINE) PLATINUM(II) COMPLEXA,B2DYW0.81
DIXMETHYL(CYCLOPENTYL-PROPYL)AMINEC,D1A1C0.7
16DHEXANE-1,6-DIAMINEA,B,C2QK90.74
16DHEXANE-1,6-DIAMINEA,B,C,D,E,F1WOG0.74
GC71-GUANIDINIUM-7-AMINOHEPTANEA,B1RQD0.78
DIAOCTANE 1,8-DIAMINEA,B3BI50.73
DIAOCTANE 1,8-DIAMINEA,B,C1H830.73
297dodecane-1,12-diamineA,B3BI20.73
DIY5-BUTYLPIPERIDINEC,D1A1E0.71
DREN-(6-AMINOHEXYL)HEXANE-1,6-DIAMINEA,B1Z6L0.94
SPKSPERMINE (FULLY PROTONATED FORM)A,B1SE60.79
SPKSPERMINE (FULLY PROTONATED FORM)B1MG90.79
SPKSPERMINE (FULLY PROTONATED FORM)A1Y0Q0.79
SPKSPERMINE (FULLY PROTONATED FORM)A,B1KGK0.79
2EP2-ETHYLPIPERIDINEH,I1A4W0.73
SPETHERMINEA,B319D0.76
DIPDIPENTYLAMINEC,D1A1B0.9
DIPDIPENTYLAMINEC,D1A070.9
DIPDIPENTYLAMINEC,D1A1A0.9
DIPDIPENTYLAMINEC,D1A080.9
DIPDIPENTYLAMINEC,D1A090.9
N3DN-methylpropane-1,3-diamineA,B3EY20.72
SPJ(3R,3'R)-N~1~,N~1~'-butane-1,4-
diyldibutane-1,3-diamine
A,B3BNM0.77
DMEDECAMETHONIUM IONA,B,C,D1MAA0.71
DMEDECAMETHONIUM IONA1ACL0.71