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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02229618

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
DIB3-AMINO-(DIMETHYLPROPYLAMINE)A,D,E,G,I,J1S320.77
DIB3-AMINO-(DIMETHYLPROPYLAMINE)E,I,J1M1A0.77
DIB3-AMINO-(DIMETHYLPROPYLAMINE)D,I,J1M180.77
DIB3-AMINO-(DIMETHYLPROPYLAMINE)E,I,J1M190.77
16ACETYL-TRIMETHYL-AMMONIUMA3HF00.73
16ACETYL-TRIMETHYL-AMMONIUMA,B,C,D1KPG0.73
16ACETYL-TRIMETHYL-AMMONIUMA1TPY0.73
SPDSPERMIDINE1,2,3,41POY0.72
SPDSPERMIDINEA,B3BXZ0.72
SPDSPERMIDINEA2ELG0.72
SPDSPERMIDINEA,B,C2PWP0.72
SPDSPERMIDINEA,B1BO40.72
SPDSPERMIDINEA,B,C,D3C6K0.72
SPDSPERMIDINEA,B2O070.72
SPDSPERMIDINEA2P1E0.72
SPDSPERMIDINEA,B293D0.72
SPDSPERMIDINEA,B1TYP0.72
SPDSPERMIDINEA,B,C,D2QBY0.72
SPDSPERMIDINEA,B3CN80.72
SPDSPERMIDINEA1U8D0.72
SPDSPERMIDINEA2P180.72
SPDSPERMIDINEA,B2HMP0.72
SPDSPERMIDINED1I2X0.72
SPDSPERMIDINEA1POT0.72
A71(6-AMINOHEXYLAMINE)(TRIAMMINE) PLATINUM(II) COMPLEXA,B2DYW0.77
SPJ(3R,3'R)-N~1~,N~1~'-butane-1,4-
diyldibutane-1,3-diamine
A,B3BNM0.71
DIPDIPENTYLAMINEC,D1A1B0.84
DIPDIPENTYLAMINEC,D1A070.84
DIPDIPENTYLAMINEC,D1A1A0.84
DIPDIPENTYLAMINEC,D1A080.84
DIPDIPENTYLAMINEC,D1A090.84
SPKSPERMINE (FULLY PROTONATED FORM)A,B1SE60.73
SPKSPERMINE (FULLY PROTONATED FORM)B1MG90.73
SPKSPERMINE (FULLY PROTONATED FORM)A1Y0Q0.73
SPKSPERMINE (FULLY PROTONATED FORM)A,B1KGK0.73
16DHEXANE-1,6-DIAMINEA,B,C2QK90.79
16DHEXANE-1,6-DIAMINEA,B,C,D,E,F1WOG0.79
10ADIDECYL-DIMETHYL-AMMONIUMA,B,C,D1KPH0.71
10ADIDECYL-DIMETHYL-AMMONIUMA1KPI0.71
N3DN-methylpropane-1,3-diamineA,B3EY20.71
A72TRANS-BIS(HEXYLAMINE)-(DIAMMINE) PLATINUM(II) COMPLEXA,B2DYW0.81
AMLAMYLAMINEA1JIR0.72
N2PPENTANE-1,5-DIAMINEA,B2OO00.72
N2PPENTANE-1,5-DIAMINEA,B1H3M0.72
N2PPENTANE-1,5-DIAMINEA,B,C,D1GZL0.72
SPMSPERMINEA,B1RH00.73
SPMSPERMINEA1ICK0.73
SPMSPERMINEA,B,D198D0.73
SPMSPERMINEA,B1RGT0.73
SPMSPERMINEA,B1Y840.73
SPMSPERMINEA2O3Y0.73
SPMSPERMINEA100D0.73
SPMSPERMINEA,B,C,D3EUI0.73
SPMSPERMINEA,B1FQ20.73
SPMSPERMINEB320D0.73
SPMSPERMINEA,B,C,D1XPQ0.73
SPMSPERMINEA,B,C,D,E,F2C120.73
SPMSPERMINEA1M690.73
SPMSPERMINEA1WOE0.73
SPMSPERMINEA,B1DCR0.73
SPMSPERMINEA,B323D0.73
SPMSPERMINEA,B326D0.73
SPMSPERMINEA1D120.73
SPMSPERMINEA211D0.73
SPMSPERMINEA,B355D0.73
SPMSPERMINEA,B1XPF0.73
SPMSPERMINEA,B1I1P0.73
SPMSPERMINEA1DNS0.73
SPMSPERMINEA,B2B2B0.73
SPMSPERMINEA,B1RG10.73
SPMSPERMINEA,B,C,D258D0.73
SPMSPERMINEA,B1RFF0.73
SPMSPERMINEA,B1EI40.73
SPMSPERMINEB,D1F6C0.73
SPMSPERMINEA,B1Y8L0.73
SPMSPERMINEA,B1FUF0.73
SPMSPERMINEA,B2F8W0.73
SPMSPERMINEA,B131D0.73
SPMSPERMINEA,B,C,D,E,F,
G,H
1N7A0.73
SPMSPERMINEA1Z7I0.73
SPMSPERMINEA,B2RF30.73
SPMSPERMINEA,B324D0.73
SPMSPERMINEA,B1DPL0.73
SPMSPERMINEA,B1PWF0.73
SPMSPERMINEB2PL80.73
SPMSPERMINEA,B,C,D3BJ80.73
SPMSPERMINEA248D0.73
SPMSPERMINEA,B1RFI0.73
SPMSPERMINEA,B2B8J0.73
SPMSPERMINEA1D100.73
SPMSPERMINEA,B1RGU0.73
SPMSPERMINEA,B428D0.73
SPMSPERMINEA1D480.73
SPMSPERMINEA1I0T0.73
SPMSPERMINED1I2Y0.73
SPMSPERMINEA,B1RG20.73
SPMSPERMINEA,B1YB90.73
SPMSPERMINEA2TRA0.73
SPMSPERMINEA,B1VRO0.73
SPMSPERMINEA206D0.73
SPMSPERMINEB1OFX0.73
SPMSPERMINEA210D0.73
SPMSPERMINEA2GWA0.73
SPMSPERMINEA321D0.73
SPMSPERMINEA,B1S2R0.73
SPMSPERMINEA,B2DCG0.73
SPMSPERMINEA,B2GUN0.73
SPMSPERMINEB2PLB0.73
SPMSPERMINEA,B1EDR0.73
SPMSPERMINEA,B,C,D1J8G0.73
SPMSPERMINEA,B,C,D,E,F,
G,H
1N7B0.73
SPMSPERMINEA,B1Z5T0.73
SPMSPERMINEA1TN20.73
SPMSPERMINEA2D470.73
SPMSPERMINEA1EVV0.73
SPMSPERMINEA,B1XL60.73
SPMSPERMINEA,B410D0.73
SPMSPERMINEA1D150.73
SPMSPERMINEA,B,C3B7P0.73
SPMSPERMINEA,B,C,D3C6M0.73
DREN-(6-AMINOHEXYL)HEXANE-1,6-DIAMINEA,B1Z6L0.87
SPWN,N'-BIS(3-AMMONIOPROPYL)BUTANE-
1,4-DIAMINIUM
A1V9G0.73
B33N-ETHYL-N-[3-(PROPYLAMINO)PROPYL]PROPANE-
1,3-DIAMINE
A,B2B4B0.75
HPLHEPTYLFORMAMIDEA,B1U3V0.71
GC71-GUANIDINIUM-7-AMINOHEPTANEA,B1RQD0.77
SPZ(3S,3'S)-N~1~,N~1~'-butane-1,4-
diyldibutane-1,3-diamine
A,B3BNU0.71
297dodecane-1,12-diamineA,B3BI20.77
TERN-(3-AMINO-PROPYL)-N-(5-AMINOPROPYL)-
1,4-DIAMINOBUTANE
A,B336D0.73
DMEDECAMETHONIUM IONA,B,C,D1MAA0.76
DMEDECAMETHONIUM IONA1ACL0.76
DIAOCTANE 1,8-DIAMINEA,B3BI50.77
DIAOCTANE 1,8-DIAMINEA,B,C1H830.77
CATDODECANE-TRIMETHYLAMINEA,B2SHP0.75