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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02813321

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
DIB3-AMINO-(DIMETHYLPROPYLAMINE)A,D,E,G,I,J1S320.72
DIB3-AMINO-(DIMETHYLPROPYLAMINE)E,I,J1M1A0.72
DIB3-AMINO-(DIMETHYLPROPYLAMINE)D,I,J1M180.72
DIB3-AMINO-(DIMETHYLPROPYLAMINE)E,I,J1M190.72
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
DIPDIPENTYLAMINEC,D1A1B0.86
DIPDIPENTYLAMINEC,D1A070.86
DIPDIPENTYLAMINEC,D1A1A0.86
DIPDIPENTYLAMINEC,D1A080.86
DIPDIPENTYLAMINEC,D1A090.86
PIPPIPERIDINEH1ETS0.74
PIPPIPERIDINEH1ETT0.74
PIPPIPERIDINEE,I1PPC0.74
PIPPIPERIDINEI1QUR0.74
PIPPIPERIDINEE1PPH0.74
SPDSPERMIDINE1,2,3,41POY0.93
SPDSPERMIDINEA,B3BXZ0.93
SPDSPERMIDINEA2ELG0.93
SPDSPERMIDINEA,B,C2PWP0.93
SPDSPERMIDINEA,B1BO40.93
SPDSPERMIDINEA,B,C,D3C6K0.93
SPDSPERMIDINEA,B2O070.93
SPDSPERMIDINEA2P1E0.93
SPDSPERMIDINEA,B293D0.93
SPDSPERMIDINEA,B1TYP0.93
SPDSPERMIDINEA,B,C,D2QBY0.93
SPDSPERMIDINEA,B3CN80.93
SPDSPERMIDINEA1U8D0.93
SPDSPERMIDINEA2P180.93
SPDSPERMIDINEA,B2HMP0.93
SPDSPERMIDINED1I2X0.93
SPDSPERMIDINEA1POT0.93
MD2N,N'-BIS(2,3-BUTADIENYL)-1,4-BUTANE-
DIAMINE
A,B,C1B5Q0.84
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
N3DN-methylpropane-1,3-diamineA,B3EY20.79
B33N-ETHYL-N-[3-(PROPYLAMINO)PROPYL]PROPANE-
1,3-DIAMINE
A,B2B4B0.89
AG31-{4-[(3-aminopropyl)amino]butyl}guanidineA,C,E2ZSU0.72
AG31-{4-[(3-aminopropyl)amino]butyl}guanidineA,B,C,D2E5W0.72
PAWN-(2-AMINOETHYL)-N'-{2-[(2-AMINOETHYL)AMINO]ETHYL}ETHANE-
1,2-DIAMINE
A,B2IE10.79
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
104N,N'-BIS(2-AMINOETHYL)-1,2-ETHANEDIAMINEA,B1DJ60.76
DREN-(6-AMINOHEXYL)HEXANE-1,6-DIAMINEA,B1Z6L0.9
GC71-GUANIDINIUM-7-AMINOHEPTANEA,B1RQD0.74