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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00009546

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
SPZ(3S,3'S)-N~1~,N~1~'-butane-1,4-
diyldibutane-1,3-diamine
A,B3BNU0.77
TERN-(3-AMINO-PROPYL)-N-(5-AMINOPROPYL)-
1,4-DIAMINOBUTANE
A,B336D0.79
P241-(AMINOETHYL)AMINO-4-AMINOBUTANEB1O9M0.76
P241-(AMINOETHYL)AMINO-4-AMINOBUTANEA,B292D0.76
TEATRIETHYLAMMONIUM IONA1BD10.74
PUT1,4-DIAMINOBUTANEA1I7B0.72
PUT1,4-DIAMINOBUTANEA,B3DZ60.72
PUT1,4-DIAMINOBUTANEA,B,C,D1I7M0.72
PUT1,4-DIAMINOBUTANEA1I790.72
PUT1,4-DIAMINOBUTANEA,B2O060.72
PUT1,4-DIAMINOBUTANEA,B1JL00.72
PUT1,4-DIAMINOBUTANEA1I720.72
PUT1,4-DIAMINOBUTANEA,B,C,D1A990.72
PUT1,4-DIAMINOBUTANEA,B3DZ40.72
PUT1,4-DIAMINOBUTANEA,B3H0W0.72
PUT1,4-DIAMINOBUTANEA,B3DZ30.72
PUT1,4-DIAMINOBUTANEA,B1MSV0.72
PUT1,4-DIAMINOBUTANEA1I7C0.72
PUT1,4-DIAMINOBUTANEA,B3DZ70.72
PUT1,4-DIAMINOBUTANEA,B3EPB0.72
PUT1,4-DIAMINOBUTANEA,B,C,D1F3T0.72
PUT1,4-DIAMINOBUTANEA,B3DZ20.72
PUT1,4-DIAMINOBUTANEA,B3DZ50.72
PUT1,4-DIAMINOBUTANEA,B3EPA0.72
PUT1,4-DIAMINOBUTANEA,B3H0V0.72
DIB3-AMINO-(DIMETHYLPROPYLAMINE)A,D,E,G,I,J1S320.92
DIB3-AMINO-(DIMETHYLPROPYLAMINE)E,I,J1M1A0.92
DIB3-AMINO-(DIMETHYLPROPYLAMINE)D,I,J1M180.92
DIB3-AMINO-(DIMETHYLPROPYLAMINE)E,I,J1M190.92
DIPDIPENTYLAMINEC,D1A1B0.73
DIPDIPENTYLAMINEC,D1A070.73
DIPDIPENTYLAMINEC,D1A1A0.73
DIPDIPENTYLAMINEC,D1A080.73
DIPDIPENTYLAMINEC,D1A090.73
SPMSPERMINEA,B1RH00.79
SPMSPERMINEA1ICK0.79
SPMSPERMINEA,B,D198D0.79
SPMSPERMINEA,B1RGT0.79
SPMSPERMINEA,B1Y840.79
SPMSPERMINEA2O3Y0.79
SPMSPERMINEA100D0.79
SPMSPERMINEA,B,C,D3EUI0.79
SPMSPERMINEA,B1FQ20.79
SPMSPERMINEB320D0.79
SPMSPERMINEA,B,C,D1XPQ0.79
SPMSPERMINEA,B,C,D,E,F2C120.79
SPMSPERMINEA1M690.79
SPMSPERMINEA1WOE0.79
SPMSPERMINEA,B1DCR0.79
SPMSPERMINEA,B323D0.79
SPMSPERMINEA,B326D0.79
SPMSPERMINEA1D120.79
SPMSPERMINEA211D0.79
SPMSPERMINEA,B355D0.79
SPMSPERMINEA,B1XPF0.79
SPMSPERMINEA,B1I1P0.79
SPMSPERMINEA1DNS0.79
SPMSPERMINEA,B2B2B0.79
SPMSPERMINEA,B1RG10.79
SPMSPERMINEA,B,C,D258D0.79
SPMSPERMINEA,B1RFF0.79
SPMSPERMINEA,B1EI40.79
SPMSPERMINEB,D1F6C0.79
SPMSPERMINEA,B1Y8L0.79
SPMSPERMINEA,B1FUF0.79
SPMSPERMINEA,B2F8W0.79
SPMSPERMINEA,B131D0.79
SPMSPERMINEA,B,C,D,E,F,
G,H
1N7A0.79
SPMSPERMINEA1Z7I0.79
SPMSPERMINEA,B2RF30.79
SPMSPERMINEA,B324D0.79
SPMSPERMINEA,B1DPL0.79
SPMSPERMINEA,B1PWF0.79
SPMSPERMINEB2PL80.79
SPMSPERMINEA,B,C,D3BJ80.79
SPMSPERMINEA248D0.79
SPMSPERMINEA,B1RFI0.79
SPMSPERMINEA,B2B8J0.79
SPMSPERMINEA1D100.79
SPMSPERMINEA,B1RGU0.79
SPMSPERMINEA,B428D0.79
SPMSPERMINEA1D480.79
SPMSPERMINEA1I0T0.79
SPMSPERMINED1I2Y0.79
SPMSPERMINEA,B1RG20.79
SPMSPERMINEA,B1YB90.79
SPMSPERMINEA2TRA0.79
SPMSPERMINEA,B1VRO0.79
SPMSPERMINEA206D0.79
SPMSPERMINEB1OFX0.79
SPMSPERMINEA210D0.79
SPMSPERMINEA2GWA0.79
SPMSPERMINEA321D0.79
SPMSPERMINEA,B1S2R0.79
SPMSPERMINEA,B2DCG0.79
SPMSPERMINEA,B2GUN0.79
SPMSPERMINEB2PLB0.79
SPMSPERMINEA,B1EDR0.79
SPMSPERMINEA,B,C,D1J8G0.79
SPMSPERMINEA,B,C,D,E,F,
G,H
1N7B0.79
SPMSPERMINEA,B1Z5T0.79
SPMSPERMINEA1TN20.79
SPMSPERMINEA2D470.79
SPMSPERMINEA1EVV0.79
SPMSPERMINEA,B1XL60.79
SPMSPERMINEA,B410D0.79
SPMSPERMINEA1D150.79
SPMSPERMINEA,B,C3B7P0.79
SPMSPERMINEA,B,C,D3C6M0.79
3CN3-AMINOPROPANEA,B,C,D3C0R0.71
3CN3-AMINOPROPANEB3BY40.71
SPWN,N'-BIS(3-AMMONIOPROPYL)BUTANE-
1,4-DIAMINIUM
A1V9G0.79
SPDSPERMIDINE1,2,3,41POY0.85
SPDSPERMIDINEA,B3BXZ0.85
SPDSPERMIDINEA2ELG0.85
SPDSPERMIDINEA,B,C2PWP0.85
SPDSPERMIDINEA,B1BO40.85
SPDSPERMIDINEA,B,C,D3C6K0.85
SPDSPERMIDINEA,B2O070.85
SPDSPERMIDINEA2P1E0.85
SPDSPERMIDINEA,B293D0.85
SPDSPERMIDINEA,B1TYP0.85
SPDSPERMIDINEA,B,C,D2QBY0.85
SPDSPERMIDINEA,B3CN80.85
SPDSPERMIDINEA1U8D0.85
SPDSPERMIDINEA2P180.85
SPDSPERMIDINEA,B2HMP0.85
SPDSPERMIDINED1I2X0.85
SPDSPERMIDINEA1POT0.85
ETNMETHYLETHYLAMINEA1TES0.79
B33N-ETHYL-N-[3-(PROPYLAMINO)PROPYL]PROPANE-
1,3-DIAMINE
A,B2B4B0.89
DREN-(6-AMINOHEXYL)HEXANE-1,6-DIAMINEA,B1Z6L0.71
LYTBUTYLAMINEA1EAG0.72
SPETHERMINEA,B319D0.82
SPKSPERMINE (FULLY PROTONATED FORM)A,B1SE60.79
SPKSPERMINE (FULLY PROTONATED FORM)B1MG90.79
SPKSPERMINE (FULLY PROTONATED FORM)A1Y0Q0.79
SPKSPERMINE (FULLY PROTONATED FORM)A,B1KGK0.79
N3DN-methylpropane-1,3-diamineA,B3EY21
13D1,3-DIAMINOPROPANEA,B2F8W0.75
SPJ(3R,3'R)-N~1~,N~1~'-butane-1,4-
diyldibutane-1,3-diamine
A,B3BNM0.77