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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00274838

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
SPETHERMINEA,B319D0.73
DIPDIPENTYLAMINEC,D1A1B0.77
DIPDIPENTYLAMINEC,D1A070.77
DIPDIPENTYLAMINEC,D1A1A0.77
DIPDIPENTYLAMINEC,D1A080.77
DIPDIPENTYLAMINEC,D1A090.77
SPKSPERMINE (FULLY PROTONATED FORM)A,B1SE60.77
SPKSPERMINE (FULLY PROTONATED FORM)B1MG90.77
SPKSPERMINE (FULLY PROTONATED FORM)A1Y0Q0.77
SPKSPERMINE (FULLY PROTONATED FORM)A,B1KGK0.77
LYTBUTYLAMINEA1EAG0.76
P241-(AMINOETHYL)AMINO-4-AMINOBUTANEB1O9M0.79
P241-(AMINOETHYL)AMINO-4-AMINOBUTANEA,B292D0.79
TEATRIETHYLAMMONIUM IONA1BD10.78
AMLAMYLAMINEA1JIR0.7
N3DN-methylpropane-1,3-diamineA,B3EY20.81
DREN-(6-AMINOHEXYL)HEXANE-1,6-DIAMINEA,B1Z6L0.74
16DHEXANE-1,6-DIAMINEA,B,C2QK90.71
16DHEXANE-1,6-DIAMINEA,B,C,D,E,F1WOG0.71
SPZ(3S,3'S)-N~1~,N~1~'-butane-1,4-
diyldibutane-1,3-diamine
A,B3BNU0.75
B33N-ETHYL-N-[3-(PROPYLAMINO)PROPYL]PROPANE-
1,3-DIAMINE
A,B2B4B0.79
SPJ(3R,3'R)-N~1~,N~1~'-butane-1,4-
diyldibutane-1,3-diamine
A,B3BNM0.75
TERN-(3-AMINO-PROPYL)-N-(5-AMINOPROPYL)-
1,4-DIAMINOBUTANE
A,B336D0.77
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
BPTBIS(TRANS-PLATINUM ETHYLENEDIAMINE DIAMINE CHLORO)COMPLEXA1AU60.71
N2PPENTANE-1,5-DIAMINEA,B2OO00.7
N2PPENTANE-1,5-DIAMINEA,B1H3M0.7
N2PPENTANE-1,5-DIAMINEA,B,C,D1GZL0.7
SPDSPERMIDINE1,2,3,41POY0.82
SPDSPERMIDINEA,B3BXZ0.82
SPDSPERMIDINEA2ELG0.82
SPDSPERMIDINEA,B,C2PWP0.82
SPDSPERMIDINEA,B1BO40.82
SPDSPERMIDINEA,B,C,D3C6K0.82
SPDSPERMIDINEA,B2O070.82
SPDSPERMIDINEA2P1E0.82
SPDSPERMIDINEA,B293D0.82
SPDSPERMIDINEA,B1TYP0.82
SPDSPERMIDINEA,B,C,D2QBY0.82
SPDSPERMIDINEA,B3CN80.82
SPDSPERMIDINEA1U8D0.82
SPDSPERMIDINEA2P180.82
SPDSPERMIDINEA,B2HMP0.82
SPDSPERMIDINED1I2X0.82
SPDSPERMIDINEA1POT0.82
SPWN,N'-BIS(3-AMMONIOPROPYL)BUTANE-
1,4-DIAMINIUM
A1V9G0.77
PUT1,4-DIAMINOBUTANEA1I7B0.76
PUT1,4-DIAMINOBUTANEA,B3DZ60.76
PUT1,4-DIAMINOBUTANEA,B,C,D1I7M0.76
PUT1,4-DIAMINOBUTANEA1I790.76
PUT1,4-DIAMINOBUTANEA,B2O060.76
PUT1,4-DIAMINOBUTANEA,B1JL00.76
PUT1,4-DIAMINOBUTANEA1I720.76
PUT1,4-DIAMINOBUTANEA,B,C,D1A990.76
PUT1,4-DIAMINOBUTANEA,B3DZ40.76
PUT1,4-DIAMINOBUTANEA,B3H0W0.76
PUT1,4-DIAMINOBUTANEA,B3DZ30.76
PUT1,4-DIAMINOBUTANEA,B1MSV0.76
PUT1,4-DIAMINOBUTANEA1I7C0.76
PUT1,4-DIAMINOBUTANEA,B3DZ70.76
PUT1,4-DIAMINOBUTANEA,B3EPB0.76
PUT1,4-DIAMINOBUTANEA,B,C,D1F3T0.76
PUT1,4-DIAMINOBUTANEA,B3DZ20.76
PUT1,4-DIAMINOBUTANEA,B3DZ50.76
PUT1,4-DIAMINOBUTANEA,B3EPA0.76
PUT1,4-DIAMINOBUTANEA,B3H0V0.76
SPMSPERMINEA,B1RH00.77
SPMSPERMINEA1ICK0.77
SPMSPERMINEA,B,D198D0.77
SPMSPERMINEA,B1RGT0.77
SPMSPERMINEA,B1Y840.77
SPMSPERMINEA2O3Y0.77
SPMSPERMINEA100D0.77
SPMSPERMINEA,B,C,D3EUI0.77
SPMSPERMINEA,B1FQ20.77
SPMSPERMINEB320D0.77
SPMSPERMINEA,B,C,D1XPQ0.77
SPMSPERMINEA,B,C,D,E,F2C120.77
SPMSPERMINEA1M690.77
SPMSPERMINEA1WOE0.77
SPMSPERMINEA,B1DCR0.77
SPMSPERMINEA,B323D0.77
SPMSPERMINEA,B326D0.77
SPMSPERMINEA1D120.77
SPMSPERMINEA211D0.77
SPMSPERMINEA,B355D0.77
SPMSPERMINEA,B1XPF0.77
SPMSPERMINEA,B1I1P0.77
SPMSPERMINEA1DNS0.77
SPMSPERMINEA,B2B2B0.77
SPMSPERMINEA,B1RG10.77
SPMSPERMINEA,B,C,D258D0.77
SPMSPERMINEA,B1RFF0.77
SPMSPERMINEA,B1EI40.77
SPMSPERMINEB,D1F6C0.77
SPMSPERMINEA,B1Y8L0.77
SPMSPERMINEA,B1FUF0.77
SPMSPERMINEA,B2F8W0.77
SPMSPERMINEA,B131D0.77
SPMSPERMINEA,B,C,D,E,F,
G,H
1N7A0.77
SPMSPERMINEA1Z7I0.77
SPMSPERMINEA,B2RF30.77
SPMSPERMINEA,B324D0.77
SPMSPERMINEA,B1DPL0.77
SPMSPERMINEA,B1PWF0.77
SPMSPERMINEB2PL80.77
SPMSPERMINEA,B,C,D3BJ80.77
SPMSPERMINEA248D0.77
SPMSPERMINEA,B1RFI0.77
SPMSPERMINEA,B2B8J0.77
SPMSPERMINEA1D100.77
SPMSPERMINEA,B1RGU0.77
SPMSPERMINEA,B428D0.77
SPMSPERMINEA1D480.77
SPMSPERMINEA1I0T0.77
SPMSPERMINED1I2Y0.77
SPMSPERMINEA,B1RG20.77
SPMSPERMINEA,B1YB90.77
SPMSPERMINEA2TRA0.77
SPMSPERMINEA,B1VRO0.77
SPMSPERMINEA206D0.77
SPMSPERMINEB1OFX0.77
SPMSPERMINEA210D0.77
SPMSPERMINEA2GWA0.77
SPMSPERMINEA321D0.77
SPMSPERMINEA,B1S2R0.77
SPMSPERMINEA,B2DCG0.77
SPMSPERMINEA,B2GUN0.77
SPMSPERMINEB2PLB0.77
SPMSPERMINEA,B1EDR0.77
SPMSPERMINEA,B,C,D1J8G0.77
SPMSPERMINEA,B,C,D,E,F,
G,H
1N7B0.77
SPMSPERMINEA,B1Z5T0.77
SPMSPERMINEA1TN20.77
SPMSPERMINEA2D470.77
SPMSPERMINEA1EVV0.77
SPMSPERMINEA,B1XL60.77
SPMSPERMINEA,B410D0.77
SPMSPERMINEA1D150.77
SPMSPERMINEA,B,C3B7P0.77
SPMSPERMINEA,B,C,D3C6M0.77