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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00023889

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
DIXMETHYL(CYCLOPENTYL-PROPYL)AMINEC,D1A1C0.74
SPDSPERMIDINE1,2,3,41POY0.77
SPDSPERMIDINEA,B3BXZ0.77
SPDSPERMIDINEA2ELG0.77
SPDSPERMIDINEA,B,C2PWP0.77
SPDSPERMIDINEA,B1BO40.77
SPDSPERMIDINEA,B,C,D3C6K0.77
SPDSPERMIDINEA,B2O070.77
SPDSPERMIDINEA2P1E0.77
SPDSPERMIDINEA,B293D0.77
SPDSPERMIDINEA,B1TYP0.77
SPDSPERMIDINEA,B,C,D2QBY0.77
SPDSPERMIDINEA,B3CN80.77
SPDSPERMIDINEA1U8D0.77
SPDSPERMIDINEA2P180.77
SPDSPERMIDINEA,B2HMP0.77
SPDSPERMIDINED1I2X0.77
SPDSPERMIDINEA1POT0.77
SPKSPERMINE (FULLY PROTONATED FORM)A,B1SE60.78
SPKSPERMINE (FULLY PROTONATED FORM)B1MG90.78
SPKSPERMINE (FULLY PROTONATED FORM)A1Y0Q0.78
SPKSPERMINE (FULLY PROTONATED FORM)A,B1KGK0.78
SPETHERMINEA,B319D0.75
A71(6-AMINOHEXYLAMINE)(TRIAMMINE) PLATINUM(II) COMPLEXA,B2DYW0.77
DIY5-BUTYLPIPERIDINEC,D1A1E0.7
SPJ(3R,3'R)-N~1~,N~1~'-butane-1,4-
diyldibutane-1,3-diamine
A,B3BNM0.76
B33N-ETHYL-N-[3-(PROPYLAMINO)PROPYL]PROPANE-
1,3-DIAMINE
A,B2B4B0.81
16DHEXANE-1,6-DIAMINEA,B,C2QK90.79
16DHEXANE-1,6-DIAMINEA,B,C,D,E,F1WOG0.79
PIPPIPERIDINEH1ETS0.73
PIPPIPERIDINEH1ETT0.73
PIPPIPERIDINEE,I1PPC0.73
PIPPIPERIDINEI1QUR0.73
PIPPIPERIDINEE1PPH0.73
A72TRANS-BIS(HEXYLAMINE)-(DIAMMINE) PLATINUM(II) COMPLEXA,B2DYW0.81
DREN-(6-AMINOHEXYL)HEXANE-1,6-DIAMINEA,B1Z6L0.93
GC71-GUANIDINIUM-7-AMINOHEPTANEA,B1RQD0.82
AMLAMYLAMINEA1JIR0.72
N2PPENTANE-1,5-DIAMINEA,B2OO00.72
N2PPENTANE-1,5-DIAMINEA,B1H3M0.72
N2PPENTANE-1,5-DIAMINEA,B,C,D1GZL0.72
HPLHEPTYLFORMAMIDEA,B1U3V0.76
MD2N,N'-BIS(2,3-BUTADIENYL)-1,4-BUTANE-
DIAMINE
A,B,C1B5Q0.71
2EP2-ETHYLPIPERIDINEH,I1A4W0.72
TERN-(3-AMINO-PROPYL)-N-(5-AMINOPROPYL)-
1,4-DIAMINOBUTANE
A,B336D0.78
SPZ(3S,3'S)-N~1~,N~1~'-butane-1,4-
diyldibutane-1,3-diamine
A,B3BNU0.76
DIB3-AMINO-(DIMETHYLPROPYLAMINE)A,D,E,G,I,J1S320.71
DIB3-AMINO-(DIMETHYLPROPYLAMINE)E,I,J1M1A0.71
DIB3-AMINO-(DIMETHYLPROPYLAMINE)D,I,J1M180.71
DIB3-AMINO-(DIMETHYLPROPYLAMINE)E,I,J1M190.71
SPMSPERMINEA,B1RH00.78
SPMSPERMINEA1ICK0.78
SPMSPERMINEA,B,D198D0.78
SPMSPERMINEA,B1RGT0.78
SPMSPERMINEA,B1Y840.78
SPMSPERMINEA2O3Y0.78
SPMSPERMINEA100D0.78
SPMSPERMINEA,B,C,D3EUI0.78
SPMSPERMINEA,B1FQ20.78
SPMSPERMINEB320D0.78
SPMSPERMINEA,B,C,D1XPQ0.78
SPMSPERMINEA,B,C,D,E,F2C120.78
SPMSPERMINEA1M690.78
SPMSPERMINEA1WOE0.78
SPMSPERMINEA,B1DCR0.78
SPMSPERMINEA,B323D0.78
SPMSPERMINEA,B326D0.78
SPMSPERMINEA1D120.78
SPMSPERMINEA211D0.78
SPMSPERMINEA,B355D0.78
SPMSPERMINEA,B1XPF0.78
SPMSPERMINEA,B1I1P0.78
SPMSPERMINEA1DNS0.78
SPMSPERMINEA,B2B2B0.78
SPMSPERMINEA,B1RG10.78
SPMSPERMINEA,B,C,D258D0.78
SPMSPERMINEA,B1RFF0.78
SPMSPERMINEA,B1EI40.78
SPMSPERMINEB,D1F6C0.78
SPMSPERMINEA,B1Y8L0.78
SPMSPERMINEA,B1FUF0.78
SPMSPERMINEA,B2F8W0.78
SPMSPERMINEA,B131D0.78
SPMSPERMINEA,B,C,D,E,F,
G,H
1N7A0.78
SPMSPERMINEA1Z7I0.78
SPMSPERMINEA,B2RF30.78
SPMSPERMINEA,B324D0.78
SPMSPERMINEA,B1DPL0.78
SPMSPERMINEA,B1PWF0.78
SPMSPERMINEB2PL80.78
SPMSPERMINEA,B,C,D3BJ80.78
SPMSPERMINEA248D0.78
SPMSPERMINEA,B1RFI0.78
SPMSPERMINEA,B2B8J0.78
SPMSPERMINEA1D100.78
SPMSPERMINEA,B1RGU0.78
SPMSPERMINEA,B428D0.78
SPMSPERMINEA1D480.78
SPMSPERMINEA1I0T0.78
SPMSPERMINED1I2Y0.78
SPMSPERMINEA,B1RG20.78
SPMSPERMINEA,B1YB90.78
SPMSPERMINEA2TRA0.78
SPMSPERMINEA,B1VRO0.78
SPMSPERMINEA206D0.78
SPMSPERMINEB1OFX0.78
SPMSPERMINEA210D0.78
SPMSPERMINEA2GWA0.78
SPMSPERMINEA321D0.78
SPMSPERMINEA,B1S2R0.78
SPMSPERMINEA,B2DCG0.78
SPMSPERMINEA,B2GUN0.78
SPMSPERMINEB2PLB0.78
SPMSPERMINEA,B1EDR0.78
SPMSPERMINEA,B,C,D1J8G0.78
SPMSPERMINEA,B,C,D,E,F,
G,H
1N7B0.78
SPMSPERMINEA,B1Z5T0.78
SPMSPERMINEA1TN20.78
SPMSPERMINEA2D470.78
SPMSPERMINEA1EVV0.78
SPMSPERMINEA,B1XL60.78
SPMSPERMINEA,B410D0.78
SPMSPERMINEA1D150.78
SPMSPERMINEA,B,C3B7P0.78
SPMSPERMINEA,B,C,D3C6M0.78
SPWN,N'-BIS(3-AMMONIOPROPYL)BUTANE-
1,4-DIAMINIUM
A1V9G0.78
297dodecane-1,12-diamineA,B3BI20.77
NMH(R)-N-(1-METHYL-HEXYL)-FORMAMIDEA,B,C,D1P1R0.72
P241-(AMINOETHYL)AMINO-4-AMINOBUTANEB1O9M0.75
P241-(AMINOETHYL)AMINO-4-AMINOBUTANEA,B292D0.75
DIPDIPENTYLAMINEC,D1A1B0.9
DIPDIPENTYLAMINEC,D1A070.9
DIPDIPENTYLAMINEC,D1A1A0.9
DIPDIPENTYLAMINEC,D1A080.9
DIPDIPENTYLAMINEC,D1A090.9
FXY1-METHYLHEPTYLFORMAMIDEA,B1U3W0.7
N3DN-methylpropane-1,3-diamineA,B3EY20.77
DIAOCTANE 1,8-DIAMINEA,B3BI50.77
DIAOCTANE 1,8-DIAMINEA,B,C1H830.77
DMEDECAMETHONIUM IONA,B,C,D1MAA0.71
DMEDECAMETHONIUM IONA1ACL0.71