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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02863933

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
B33N-ETHYL-N-[3-(PROPYLAMINO)PROPYL]PROPANE-
1,3-DIAMINE
A,B2B4B0.8
PIPPIPERIDINEH1ETS0.72
PIPPIPERIDINEH1ETT0.72
PIPPIPERIDINEE,I1PPC0.72
PIPPIPERIDINEI1QUR0.72
PIPPIPERIDINEE1PPH0.72
TEATRIETHYLAMMONIUM IONA1BD10.72
DIPDIPENTYLAMINEC,D1A1B0.77
DIPDIPENTYLAMINEC,D1A070.77
DIPDIPENTYLAMINEC,D1A1A0.77
DIPDIPENTYLAMINEC,D1A080.77
DIPDIPENTYLAMINEC,D1A090.77
SPMSPERMINEA,B1RH00.83
SPMSPERMINEA1ICK0.83
SPMSPERMINEA,B,D198D0.83
SPMSPERMINEA,B1RGT0.83
SPMSPERMINEA,B1Y840.83
SPMSPERMINEA2O3Y0.83
SPMSPERMINEA100D0.83
SPMSPERMINEA,B,C,D3EUI0.83
SPMSPERMINEA,B1FQ20.83
SPMSPERMINEB320D0.83
SPMSPERMINEA,B,C,D1XPQ0.83
SPMSPERMINEA,B,C,D,E,F2C120.83
SPMSPERMINEA1M690.83
SPMSPERMINEA1WOE0.83
SPMSPERMINEA,B1DCR0.83
SPMSPERMINEA,B323D0.83
SPMSPERMINEA,B326D0.83
SPMSPERMINEA1D120.83
SPMSPERMINEA211D0.83
SPMSPERMINEA,B355D0.83
SPMSPERMINEA,B1XPF0.83
SPMSPERMINEA,B1I1P0.83
SPMSPERMINEA1DNS0.83
SPMSPERMINEA,B2B2B0.83
SPMSPERMINEA,B1RG10.83
SPMSPERMINEA,B,C,D258D0.83
SPMSPERMINEA,B1RFF0.83
SPMSPERMINEA,B1EI40.83
SPMSPERMINEB,D1F6C0.83
SPMSPERMINEA,B1Y8L0.83
SPMSPERMINEA,B1FUF0.83
SPMSPERMINEA,B2F8W0.83
SPMSPERMINEA,B131D0.83
SPMSPERMINEA,B,C,D,E,F,
G,H
1N7A0.83
SPMSPERMINEA1Z7I0.83
SPMSPERMINEA,B2RF30.83
SPMSPERMINEA,B324D0.83
SPMSPERMINEA,B1DPL0.83
SPMSPERMINEA,B1PWF0.83
SPMSPERMINEB2PL80.83
SPMSPERMINEA,B,C,D3BJ80.83
SPMSPERMINEA248D0.83
SPMSPERMINEA,B1RFI0.83
SPMSPERMINEA,B2B8J0.83
SPMSPERMINEA1D100.83
SPMSPERMINEA,B1RGU0.83
SPMSPERMINEA,B428D0.83
SPMSPERMINEA1D480.83
SPMSPERMINEA1I0T0.83
SPMSPERMINED1I2Y0.83
SPMSPERMINEA,B1RG20.83
SPMSPERMINEA,B1YB90.83
SPMSPERMINEA2TRA0.83
SPMSPERMINEA,B1VRO0.83
SPMSPERMINEA206D0.83
SPMSPERMINEB1OFX0.83
SPMSPERMINEA210D0.83
SPMSPERMINEA2GWA0.83
SPMSPERMINEA321D0.83
SPMSPERMINEA,B1S2R0.83
SPMSPERMINEA,B2DCG0.83
SPMSPERMINEA,B2GUN0.83
SPMSPERMINEB2PLB0.83
SPMSPERMINEA,B1EDR0.83
SPMSPERMINEA,B,C,D1J8G0.83
SPMSPERMINEA,B,C,D,E,F,
G,H
1N7B0.83
SPMSPERMINEA,B1Z5T0.83
SPMSPERMINEA1TN20.83
SPMSPERMINEA2D470.83
SPMSPERMINEA1EVV0.83
SPMSPERMINEA,B1XL60.83
SPMSPERMINEA,B410D0.83
SPMSPERMINEA1D150.83
SPMSPERMINEA,B,C3B7P0.83
SPMSPERMINEA,B,C,D3C6M0.83
SPWN,N'-BIS(3-AMMONIOPROPYL)BUTANE-
1,4-DIAMINIUM
A1V9G0.83
DIB3-AMINO-(DIMETHYLPROPYLAMINE)A,D,E,G,I,J1S320.7
DIB3-AMINO-(DIMETHYLPROPYLAMINE)E,I,J1M1A0.7
DIB3-AMINO-(DIMETHYLPROPYLAMINE)D,I,J1M180.7
DIB3-AMINO-(DIMETHYLPROPYLAMINE)E,I,J1M190.7
104N,N'-BIS(2-AMINOETHYL)-1,2-ETHANEDIAMINEA,B1DJ60.86
SPJ(3R,3'R)-N~1~,N~1~'-butane-1,4-
diyldibutane-1,3-diamine
A,B3BNM0.76
P2Y(2S)-PYRROLIDIN-2-YLMETHYLAMINEA,B,C,D1ORW0.76
N3DN-methylpropane-1,3-diamineA,B3EY20.76
TERN-(3-AMINO-PROPYL)-N-(5-AMINOPROPYL)-
1,4-DIAMINOBUTANE
A,B336D0.83
PUT1,4-DIAMINOBUTANEA1I7B0.7
PUT1,4-DIAMINOBUTANEA,B3DZ60.7
PUT1,4-DIAMINOBUTANEA,B,C,D1I7M0.7
PUT1,4-DIAMINOBUTANEA1I790.7
PUT1,4-DIAMINOBUTANEA,B2O060.7
PUT1,4-DIAMINOBUTANEA,B1JL00.7
PUT1,4-DIAMINOBUTANEA1I720.7
PUT1,4-DIAMINOBUTANEA,B,C,D1A990.7
PUT1,4-DIAMINOBUTANEA,B3DZ40.7
PUT1,4-DIAMINOBUTANEA,B3H0W0.7
PUT1,4-DIAMINOBUTANEA,B3DZ30.7
PUT1,4-DIAMINOBUTANEA,B1MSV0.7
PUT1,4-DIAMINOBUTANEA1I7C0.7
PUT1,4-DIAMINOBUTANEA,B3DZ70.7
PUT1,4-DIAMINOBUTANEA,B3EPB0.7
PUT1,4-DIAMINOBUTANEA,B,C,D1F3T0.7
PUT1,4-DIAMINOBUTANEA,B3DZ20.7
PUT1,4-DIAMINOBUTANEA,B3DZ50.7
PUT1,4-DIAMINOBUTANEA,B3EPA0.7
PUT1,4-DIAMINOBUTANEA,B3H0V0.7
SPDSPERMIDINE1,2,3,41POY0.89
SPDSPERMIDINEA,B3BXZ0.89
SPDSPERMIDINEA2ELG0.89
SPDSPERMIDINEA,B,C2PWP0.89
SPDSPERMIDINEA,B1BO40.89
SPDSPERMIDINEA,B,C,D3C6K0.89
SPDSPERMIDINEA,B2O070.89
SPDSPERMIDINEA2P1E0.89
SPDSPERMIDINEA,B293D0.89
SPDSPERMIDINEA,B1TYP0.89
SPDSPERMIDINEA,B,C,D2QBY0.89
SPDSPERMIDINEA,B3CN80.89
SPDSPERMIDINEA1U8D0.89
SPDSPERMIDINEA2P180.89
SPDSPERMIDINEA,B2HMP0.89
SPDSPERMIDINED1I2X0.89
SPDSPERMIDINEA1POT0.89
SPETHERMINEA,B319D0.8
DREN-(6-AMINOHEXYL)HEXANE-1,6-DIAMINEA,B1Z6L0.81
MD2N,N'-BIS(2,3-BUTADIENYL)-1,4-BUTANE-
DIAMINE
A,B,C1B5Q0.76
P241-(AMINOETHYL)AMINO-4-AMINOBUTANEB1O9M1
P241-(AMINOETHYL)AMINO-4-AMINOBUTANEA,B292D1
SPZ(3S,3'S)-N~1~,N~1~'-butane-1,4-
diyldibutane-1,3-diamine
A,B3BNU0.76
PAWN-(2-AMINOETHYL)-N'-{2-[(2-AMINOETHYL)AMINO]ETHYL}ETHANE-
1,2-DIAMINE
A,B2IE10.83
SPKSPERMINE (FULLY PROTONATED FORM)A,B1SE60.83
SPKSPERMINE (FULLY PROTONATED FORM)B1MG90.83
SPKSPERMINE (FULLY PROTONATED FORM)A1Y0Q0.83
SPKSPERMINE (FULLY PROTONATED FORM)A,B1KGK0.83