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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03894851

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
SPETHERMINEA,B319D0.85
SPWN,N'-BIS(3-AMMONIOPROPYL)BUTANE-
1,4-DIAMINIUM
A1V9G0.82
DIPDIPENTYLAMINEC,D1A1B0.7
DIPDIPENTYLAMINEC,D1A070.7
DIPDIPENTYLAMINEC,D1A1A0.7
DIPDIPENTYLAMINEC,D1A080.7
DIPDIPENTYLAMINEC,D1A090.7
P241-(AMINOETHYL)AMINO-4-AMINOBUTANEB1O9M0.79
P241-(AMINOETHYL)AMINO-4-AMINOBUTANEA,B292D0.79
SPMSPERMINEA,B1RH00.82
SPMSPERMINEA1ICK0.82
SPMSPERMINEA,B,D198D0.82
SPMSPERMINEA,B1RGT0.82
SPMSPERMINEA,B1Y840.82
SPMSPERMINEA2O3Y0.82
SPMSPERMINEA100D0.82
SPMSPERMINEA,B,C,D3EUI0.82
SPMSPERMINEA,B1FQ20.82
SPMSPERMINEB320D0.82
SPMSPERMINEA,B,C,D1XPQ0.82
SPMSPERMINEA,B,C,D,E,F2C120.82
SPMSPERMINEA1M690.82
SPMSPERMINEA1WOE0.82
SPMSPERMINEA,B1DCR0.82
SPMSPERMINEA,B323D0.82
SPMSPERMINEA,B326D0.82
SPMSPERMINEA1D120.82
SPMSPERMINEA211D0.82
SPMSPERMINEA,B355D0.82
SPMSPERMINEA,B1XPF0.82
SPMSPERMINEA,B1I1P0.82
SPMSPERMINEA1DNS0.82
SPMSPERMINEA,B2B2B0.82
SPMSPERMINEA,B1RG10.82
SPMSPERMINEA,B,C,D258D0.82
SPMSPERMINEA,B1RFF0.82
SPMSPERMINEA,B1EI40.82
SPMSPERMINEB,D1F6C0.82
SPMSPERMINEA,B1Y8L0.82
SPMSPERMINEA,B1FUF0.82
SPMSPERMINEA,B2F8W0.82
SPMSPERMINEA,B131D0.82
SPMSPERMINEA,B,C,D,E,F,
G,H
1N7A0.82
SPMSPERMINEA1Z7I0.82
SPMSPERMINEA,B2RF30.82
SPMSPERMINEA,B324D0.82
SPMSPERMINEA,B1DPL0.82
SPMSPERMINEA,B1PWF0.82
SPMSPERMINEB2PL80.82
SPMSPERMINEA,B,C,D3BJ80.82
SPMSPERMINEA248D0.82
SPMSPERMINEA,B1RFI0.82
SPMSPERMINEA,B2B8J0.82
SPMSPERMINEA1D100.82
SPMSPERMINEA,B1RGU0.82
SPMSPERMINEA,B428D0.82
SPMSPERMINEA1D480.82
SPMSPERMINEA1I0T0.82
SPMSPERMINED1I2Y0.82
SPMSPERMINEA,B1RG20.82
SPMSPERMINEA,B1YB90.82
SPMSPERMINEA2TRA0.82
SPMSPERMINEA,B1VRO0.82
SPMSPERMINEA206D0.82
SPMSPERMINEB1OFX0.82
SPMSPERMINEA210D0.82
SPMSPERMINEA2GWA0.82
SPMSPERMINEA321D0.82
SPMSPERMINEA,B1S2R0.82
SPMSPERMINEA,B2DCG0.82
SPMSPERMINEA,B2GUN0.82
SPMSPERMINEB2PLB0.82
SPMSPERMINEA,B1EDR0.82
SPMSPERMINEA,B,C,D1J8G0.82
SPMSPERMINEA,B,C,D,E,F,
G,H
1N7B0.82
SPMSPERMINEA,B1Z5T0.82
SPMSPERMINEA1TN20.82
SPMSPERMINEA2D470.82
SPMSPERMINEA1EVV0.82
SPMSPERMINEA,B1XL60.82
SPMSPERMINEA,B410D0.82
SPMSPERMINEA1D150.82
SPMSPERMINEA,B,C3B7P0.82
SPMSPERMINEA,B,C,D3C6M0.82
PIPPIPERIDINEH1ETS0.7
PIPPIPERIDINEH1ETT0.7
PIPPIPERIDINEE,I1PPC0.7
PIPPIPERIDINEI1QUR0.7
PIPPIPERIDINEE1PPH0.7
PUT1,4-DIAMINOBUTANEA1I7B0.75
PUT1,4-DIAMINOBUTANEA,B3DZ60.75
PUT1,4-DIAMINOBUTANEA,B,C,D1I7M0.75
PUT1,4-DIAMINOBUTANEA1I790.75
PUT1,4-DIAMINOBUTANEA,B2O060.75
PUT1,4-DIAMINOBUTANEA,B1JL00.75
PUT1,4-DIAMINOBUTANEA1I720.75
PUT1,4-DIAMINOBUTANEA,B,C,D1A990.75
PUT1,4-DIAMINOBUTANEA,B3DZ40.75
PUT1,4-DIAMINOBUTANEA,B3H0W0.75
PUT1,4-DIAMINOBUTANEA,B3DZ30.75
PUT1,4-DIAMINOBUTANEA,B1MSV0.75
PUT1,4-DIAMINOBUTANEA1I7C0.75
PUT1,4-DIAMINOBUTANEA,B3DZ70.75
PUT1,4-DIAMINOBUTANEA,B3EPB0.75
PUT1,4-DIAMINOBUTANEA,B,C,D1F3T0.75
PUT1,4-DIAMINOBUTANEA,B3DZ20.75
PUT1,4-DIAMINOBUTANEA,B3DZ50.75
PUT1,4-DIAMINOBUTANEA,B3EPA0.75
PUT1,4-DIAMINOBUTANEA,B3H0V0.75
TEATRIETHYLAMMONIUM IONA1BD10.7
N3DN-methylpropane-1,3-diamineA,B3EY20.88
SPZ(3S,3'S)-N~1~,N~1~'-butane-1,4-
diyldibutane-1,3-diamine
A,B3BNU0.74
TERN-(3-AMINO-PROPYL)-N-(5-AMINOPROPYL)-
1,4-DIAMINOBUTANE
A,B336D0.82
DREN-(6-AMINOHEXYL)HEXANE-1,6-DIAMINEA,B1Z6L0.73
B33N-ETHYL-N-[3-(PROPYLAMINO)PROPYL]PROPANE-
1,3-DIAMINE
A,B2B4B0.85
DIB3-AMINO-(DIMETHYLPROPYLAMINE)A,D,E,G,I,J1S320.88
DIB3-AMINO-(DIMETHYLPROPYLAMINE)E,I,J1M1A0.88
DIB3-AMINO-(DIMETHYLPROPYLAMINE)D,I,J1M180.88
DIB3-AMINO-(DIMETHYLPROPYLAMINE)E,I,J1M190.88
SPJ(3R,3'R)-N~1~,N~1~'-butane-1,4-
diyldibutane-1,3-diamine
A,B3BNM0.74
13D1,3-DIAMINOPROPANEA,B2F8W0.78
SPDSPERMIDINE1,2,3,41POY0.88
SPDSPERMIDINEA,B3BXZ0.88
SPDSPERMIDINEA2ELG0.88
SPDSPERMIDINEA,B,C2PWP0.88
SPDSPERMIDINEA,B1BO40.88
SPDSPERMIDINEA,B,C,D3C6K0.88
SPDSPERMIDINEA,B2O070.88
SPDSPERMIDINEA2P1E0.88
SPDSPERMIDINEA,B293D0.88
SPDSPERMIDINEA,B1TYP0.88
SPDSPERMIDINEA,B,C,D2QBY0.88
SPDSPERMIDINEA,B3CN80.88
SPDSPERMIDINEA1U8D0.88
SPDSPERMIDINEA2P180.88
SPDSPERMIDINEA,B2HMP0.88
SPDSPERMIDINED1I2X0.88
SPDSPERMIDINEA1POT0.88
104N,N'-BIS(2-AMINOETHYL)-1,2-ETHANEDIAMINEA,B1DJ60.71
SPKSPERMINE (FULLY PROTONATED FORM)A,B1SE60.82
SPKSPERMINE (FULLY PROTONATED FORM)B1MG90.82
SPKSPERMINE (FULLY PROTONATED FORM)A1Y0Q0.82
SPKSPERMINE (FULLY PROTONATED FORM)A,B1KGK0.82