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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03260275

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
P241-(AMINOETHYL)AMINO-4-AMINOBUTANEB1O9M0.81
P241-(AMINOETHYL)AMINO-4-AMINOBUTANEA,B292D0.81
SPKSPERMINE (FULLY PROTONATED FORM)A,B1SE60.97
SPKSPERMINE (FULLY PROTONATED FORM)B1MG90.97
SPKSPERMINE (FULLY PROTONATED FORM)A1Y0Q0.97
SPKSPERMINE (FULLY PROTONATED FORM)A,B1KGK0.97
AG31-{4-[(3-aminopropyl)amino]butyl}guanidineA,C,E2ZSU0.76
AG31-{4-[(3-aminopropyl)amino]butyl}guanidineA,B,C,D2E5W0.76
PAWN-(2-AMINOETHYL)-N'-{2-[(2-AMINOETHYL)AMINO]ETHYL}ETHANE-
1,2-DIAMINE
A,B2IE10.77
SPETHERMINEA,B319D0.93
104N,N'-BIS(2-AMINOETHYL)-1,2-ETHANEDIAMINEA,B1DJ60.74
DIPDIPENTYLAMINEC,D1A1B0.78
DIPDIPENTYLAMINEC,D1A070.78
DIPDIPENTYLAMINEC,D1A1A0.78
DIPDIPENTYLAMINEC,D1A080.78
DIPDIPENTYLAMINEC,D1A090.78
B33N-ETHYL-N-[3-(PROPYLAMINO)PROPYL]PROPANE-
1,3-DIAMINE
A,B2B4B0.87
SPJ(3R,3'R)-N~1~,N~1~'-butane-1,4-
diyldibutane-1,3-diamine
A,B3BNM0.88
SP5N-[3-({4-[(3-aminopropyl)amino]butyl}amino)propyl]acetamideA,B3CND0.74
DREN-(6-AMINOHEXYL)HEXANE-1,6-DIAMINEA,B1Z6L0.81
MD2N,N'-BIS(2,3-BUTADIENYL)-1,4-BUTANE-
DIAMINE
A,B,C1B5Q0.76
SPZ(3S,3'S)-N~1~,N~1~'-butane-1,4-
diyldibutane-1,3-diamine
A,B3BNU0.88
GC71-GUANIDINIUM-7-AMINOHEPTANEA,B1RQD0.72
TERN-(3-AMINO-PROPYL)-N-(5-AMINOPROPYL)-
1,4-DIAMINOBUTANE
A,B336D0.97
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,B1RH00.97
SPMSPERMINEA1ICK0.97
SPMSPERMINEA,B,D198D0.97
SPMSPERMINEA,B1RGT0.97
SPMSPERMINEA,B1Y840.97
SPMSPERMINEA2O3Y0.97
SPMSPERMINEA100D0.97
SPMSPERMINEA,B,C,D3EUI0.97
SPMSPERMINEA,B1FQ20.97
SPMSPERMINEB320D0.97
SPMSPERMINEA,B,C,D1XPQ0.97
SPMSPERMINEA,B,C,D,E,F2C120.97
SPMSPERMINEA1M690.97
SPMSPERMINEA1WOE0.97
SPMSPERMINEA,B1DCR0.97
SPMSPERMINEA,B323D0.97
SPMSPERMINEA,B326D0.97
SPMSPERMINEA1D120.97
SPMSPERMINEA211D0.97
SPMSPERMINEA,B355D0.97
SPMSPERMINEA,B1XPF0.97
SPMSPERMINEA,B1I1P0.97
SPMSPERMINEA1DNS0.97
SPMSPERMINEA,B2B2B0.97
SPMSPERMINEA,B1RG10.97
SPMSPERMINEA,B,C,D258D0.97
SPMSPERMINEA,B1RFF0.97
SPMSPERMINEA,B1EI40.97
SPMSPERMINEB,D1F6C0.97
SPMSPERMINEA,B1Y8L0.97
SPMSPERMINEA,B1FUF0.97
SPMSPERMINEA,B2F8W0.97
SPMSPERMINEA,B131D0.97
SPMSPERMINEA,B,C,D,E,F,
G,H
1N7A0.97
SPMSPERMINEA1Z7I0.97
SPMSPERMINEA,B2RF30.97
SPMSPERMINEA,B324D0.97
SPMSPERMINEA,B1DPL0.97
SPMSPERMINEA,B1PWF0.97
SPMSPERMINEB2PL80.97
SPMSPERMINEA,B,C,D3BJ80.97
SPMSPERMINEA248D0.97
SPMSPERMINEA,B1RFI0.97
SPMSPERMINEA,B2B8J0.97
SPMSPERMINEA1D100.97
SPMSPERMINEA,B1RGU0.97
SPMSPERMINEA,B428D0.97
SPMSPERMINEA1D480.97
SPMSPERMINEA1I0T0.97
SPMSPERMINED1I2Y0.97
SPMSPERMINEA,B1RG20.97
SPMSPERMINEA,B1YB90.97
SPMSPERMINEA2TRA0.97
SPMSPERMINEA,B1VRO0.97
SPMSPERMINEA206D0.97
SPMSPERMINEB1OFX0.97
SPMSPERMINEA210D0.97
SPMSPERMINEA2GWA0.97
SPMSPERMINEA321D0.97
SPMSPERMINEA,B1S2R0.97
SPMSPERMINEA,B2DCG0.97
SPMSPERMINEA,B2GUN0.97
SPMSPERMINEB2PLB0.97
SPMSPERMINEA,B1EDR0.97
SPMSPERMINEA,B,C,D1J8G0.97
SPMSPERMINEA,B,C,D,E,F,
G,H
1N7B0.97
SPMSPERMINEA,B1Z5T0.97
SPMSPERMINEA1TN20.97
SPMSPERMINEA2D470.97
SPMSPERMINEA1EVV0.97
SPMSPERMINEA,B1XL60.97
SPMSPERMINEA,B410D0.97
SPMSPERMINEA1D150.97
SPMSPERMINEA,B,C3B7P0.97
SPMSPERMINEA,B,C,D3C6M0.97
SPWN,N'-BIS(3-AMMONIOPROPYL)BUTANE-
1,4-DIAMINIUM
A1V9G0.97
N3DN-methylpropane-1,3-diamineA,B3EY20.77
SPDSPERMIDINE1,2,3,41POY0.9
SPDSPERMIDINEA,B3BXZ0.9
SPDSPERMIDINEA2ELG0.9
SPDSPERMIDINEA,B,C2PWP0.9
SPDSPERMIDINEA,B1BO40.9
SPDSPERMIDINEA,B,C,D3C6K0.9
SPDSPERMIDINEA,B2O070.9
SPDSPERMIDINEA2P1E0.9
SPDSPERMIDINEA,B293D0.9
SPDSPERMIDINEA,B1TYP0.9
SPDSPERMIDINEA,B,C,D2QBY0.9
SPDSPERMIDINEA,B3CN80.9
SPDSPERMIDINEA1U8D0.9
SPDSPERMIDINEA2P180.9
SPDSPERMIDINEA,B2HMP0.9
SPDSPERMIDINED1I2X0.9
SPDSPERMIDINEA1POT0.9