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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00009050

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
SPETHERMINEA,B319D0.89
SP5N-[3-({4-[(3-aminopropyl)amino]butyl}amino)propyl]acetamideA,B3CND0.7
SPDSPERMIDINE1,2,3,41POY1
SPDSPERMIDINEA,B3BXZ1
SPDSPERMIDINEA2ELG1
SPDSPERMIDINEA,B,C2PWP1
SPDSPERMIDINEA,B1BO41
SPDSPERMIDINEA,B,C,D3C6K1
SPDSPERMIDINEA,B2O071
SPDSPERMIDINEA2P1E1
SPDSPERMIDINEA,B293D1
SPDSPERMIDINEA,B1TYP1
SPDSPERMIDINEA,B,C,D2QBY1
SPDSPERMIDINEA,B3CN81
SPDSPERMIDINEA1U8D1
SPDSPERMIDINEA2P181
SPDSPERMIDINEA,B2HMP1
SPDSPERMIDINED1I2X1
SPDSPERMIDINEA1POT1
PUT1,4-DIAMINOBUTANEA1I7B0.73
PUT1,4-DIAMINOBUTANEA,B3DZ60.73
PUT1,4-DIAMINOBUTANEA,B,C,D1I7M0.73
PUT1,4-DIAMINOBUTANEA1I790.73
PUT1,4-DIAMINOBUTANEA,B2O060.73
PUT1,4-DIAMINOBUTANEA,B1JL00.73
PUT1,4-DIAMINOBUTANEA1I720.73
PUT1,4-DIAMINOBUTANEA,B,C,D1A990.73
PUT1,4-DIAMINOBUTANEA,B3DZ40.73
PUT1,4-DIAMINOBUTANEA,B3H0W0.73
PUT1,4-DIAMINOBUTANEA,B3DZ30.73
PUT1,4-DIAMINOBUTANEA,B1MSV0.73
PUT1,4-DIAMINOBUTANEA1I7C0.73
PUT1,4-DIAMINOBUTANEA,B3DZ70.73
PUT1,4-DIAMINOBUTANEA,B3EPB0.73
PUT1,4-DIAMINOBUTANEA,B,C,D1F3T0.73
PUT1,4-DIAMINOBUTANEA,B3DZ20.73
PUT1,4-DIAMINOBUTANEA,B3DZ50.73
PUT1,4-DIAMINOBUTANEA,B3EPA0.73
PUT1,4-DIAMINOBUTANEA,B3H0V0.73
MD2N,N'-BIS(2,3-BUTADIENYL)-1,4-BUTANE-
DIAMINE
A,B,C1B5Q0.78
SPZ(3S,3'S)-N~1~,N~1~'-butane-1,4-
diyldibutane-1,3-diamine
A,B3BNU0.84
PAWN-(2-AMINOETHYL)-N'-{2-[(2-AMINOETHYL)AMINO]ETHYL}ETHANE-
1,2-DIAMINE
A,B2IE10.73
PIPPIPERIDINEH1ETS0.74
PIPPIPERIDINEH1ETT0.74
PIPPIPERIDINEE,I1PPC0.74
PIPPIPERIDINEI1QUR0.74
PIPPIPERIDINEE1PPH0.74
SPKSPERMINE (FULLY PROTONATED FORM)A,B1SE60.93
SPKSPERMINE (FULLY PROTONATED FORM)B1MG90.93
SPKSPERMINE (FULLY PROTONATED FORM)A1Y0Q0.93
SPKSPERMINE (FULLY PROTONATED FORM)A,B1KGK0.93
TEATRIETHYLAMMONIUM IONA1BD10.75
B33N-ETHYL-N-[3-(PROPYLAMINO)PROPYL]PROPANE-
1,3-DIAMINE
A,B2B4B0.89
N3DN-methylpropane-1,3-diamineA,B3EY20.85
DIB3-AMINO-(DIMETHYLPROPYLAMINE)A,D,E,G,I,J1S320.79
DIB3-AMINO-(DIMETHYLPROPYLAMINE)E,I,J1M1A0.79
DIB3-AMINO-(DIMETHYLPROPYLAMINE)D,I,J1M180.79
DIB3-AMINO-(DIMETHYLPROPYLAMINE)E,I,J1M190.79
AG31-{4-[(3-aminopropyl)amino]butyl}guanidineA,C,E2ZSU0.72
AG31-{4-[(3-aminopropyl)amino]butyl}guanidineA,B,C,D2E5W0.72
SPWN,N'-BIS(3-AMMONIOPROPYL)BUTANE-
1,4-DIAMINIUM
A1V9G0.93
SPJ(3R,3'R)-N~1~,N~1~'-butane-1,4-
diyldibutane-1,3-diamine
A,B3BNM0.84
SPMSPERMINEA,B1RH00.93
SPMSPERMINEA1ICK0.93
SPMSPERMINEA,B,D198D0.93
SPMSPERMINEA,B1RGT0.93
SPMSPERMINEA,B1Y840.93
SPMSPERMINEA2O3Y0.93
SPMSPERMINEA100D0.93
SPMSPERMINEA,B,C,D3EUI0.93
SPMSPERMINEA,B1FQ20.93
SPMSPERMINEB320D0.93
SPMSPERMINEA,B,C,D1XPQ0.93
SPMSPERMINEA,B,C,D,E,F2C120.93
SPMSPERMINEA1M690.93
SPMSPERMINEA1WOE0.93
SPMSPERMINEA,B1DCR0.93
SPMSPERMINEA,B323D0.93
SPMSPERMINEA,B326D0.93
SPMSPERMINEA1D120.93
SPMSPERMINEA211D0.93
SPMSPERMINEA,B355D0.93
SPMSPERMINEA,B1XPF0.93
SPMSPERMINEA,B1I1P0.93
SPMSPERMINEA1DNS0.93
SPMSPERMINEA,B2B2B0.93
SPMSPERMINEA,B1RG10.93
SPMSPERMINEA,B,C,D258D0.93
SPMSPERMINEA,B1RFF0.93
SPMSPERMINEA,B1EI40.93
SPMSPERMINEB,D1F6C0.93
SPMSPERMINEA,B1Y8L0.93
SPMSPERMINEA,B1FUF0.93
SPMSPERMINEA,B2F8W0.93
SPMSPERMINEA,B131D0.93
SPMSPERMINEA,B,C,D,E,F,
G,H
1N7A0.93
SPMSPERMINEA1Z7I0.93
SPMSPERMINEA,B2RF30.93
SPMSPERMINEA,B324D0.93
SPMSPERMINEA,B1DPL0.93
SPMSPERMINEA,B1PWF0.93
SPMSPERMINEB2PL80.93
SPMSPERMINEA,B,C,D3BJ80.93
SPMSPERMINEA248D0.93
SPMSPERMINEA,B1RFI0.93
SPMSPERMINEA,B2B8J0.93
SPMSPERMINEA1D100.93
SPMSPERMINEA,B1RGU0.93
SPMSPERMINEA,B428D0.93
SPMSPERMINEA1D480.93
SPMSPERMINEA1I0T0.93
SPMSPERMINED1I2Y0.93
SPMSPERMINEA,B1RG20.93
SPMSPERMINEA,B1YB90.93
SPMSPERMINEA2TRA0.93
SPMSPERMINEA,B1VRO0.93
SPMSPERMINEA206D0.93
SPMSPERMINEB1OFX0.93
SPMSPERMINEA210D0.93
SPMSPERMINEA2GWA0.93
SPMSPERMINEA321D0.93
SPMSPERMINEA,B1S2R0.93
SPMSPERMINEA,B2DCG0.93
SPMSPERMINEA,B2GUN0.93
SPMSPERMINEB2PLB0.93
SPMSPERMINEA,B1EDR0.93
SPMSPERMINEA,B,C,D1J8G0.93
SPMSPERMINEA,B,C,D,E,F,
G,H
1N7B0.93
SPMSPERMINEA,B1Z5T0.93
SPMSPERMINEA1TN20.93
SPMSPERMINEA2D470.93
SPMSPERMINEA1EVV0.93
SPMSPERMINEA,B1XL60.93
SPMSPERMINEA,B410D0.93
SPMSPERMINEA1D150.93
SPMSPERMINEA,B,C3B7P0.93
SPMSPERMINEA,B,C,D3C6M0.93
P241-(AMINOETHYL)AMINO-4-AMINOBUTANEB1O9M0.89
P241-(AMINOETHYL)AMINO-4-AMINOBUTANEA,B292D0.89
TERN-(3-AMINO-PROPYL)-N-(5-AMINOPROPYL)-
1,4-DIAMINOBUTANE
A,B336D0.93
104N,N'-BIS(2-AMINOETHYL)-1,2-ETHANEDIAMINEA,B1DJ60.76
DIPDIPENTYLAMINEC,D1A1B0.8
DIPDIPENTYLAMINEC,D1A070.8
DIPDIPENTYLAMINEC,D1A1A0.8
DIPDIPENTYLAMINEC,D1A080.8
DIPDIPENTYLAMINEC,D1A090.8
DREN-(6-AMINOHEXYL)HEXANE-1,6-DIAMINEA,B1Z6L0.83