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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00023154

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
GC71-GUANIDINIUM-7-AMINOHEPTANEA,B1RQD0.71
2EP2-ETHYLPIPERIDINEH,I1A4W0.76
LYTBUTYLAMINEA1EAG0.76
TERN-(3-AMINO-PROPYL)-N-(5-AMINOPROPYL)-
1,4-DIAMINOBUTANE
A,B336D0.71
AMLAMYLAMINEA1JIR0.84
SPMSPERMINEA,B1RH00.71
SPMSPERMINEA1ICK0.71
SPMSPERMINEA,B,D198D0.71
SPMSPERMINEA,B1RGT0.71
SPMSPERMINEA,B1Y840.71
SPMSPERMINEA2O3Y0.71
SPMSPERMINEA100D0.71
SPMSPERMINEA,B,C,D3EUI0.71
SPMSPERMINEA,B1FQ20.71
SPMSPERMINEB320D0.71
SPMSPERMINEA,B,C,D1XPQ0.71
SPMSPERMINEA,B,C,D,E,F2C120.71
SPMSPERMINEA1M690.71
SPMSPERMINEA1WOE0.71
SPMSPERMINEA,B1DCR0.71
SPMSPERMINEA,B323D0.71
SPMSPERMINEA,B326D0.71
SPMSPERMINEA1D120.71
SPMSPERMINEA211D0.71
SPMSPERMINEA,B355D0.71
SPMSPERMINEA,B1XPF0.71
SPMSPERMINEA,B1I1P0.71
SPMSPERMINEA1DNS0.71
SPMSPERMINEA,B2B2B0.71
SPMSPERMINEA,B1RG10.71
SPMSPERMINEA,B,C,D258D0.71
SPMSPERMINEA,B1RFF0.71
SPMSPERMINEA,B1EI40.71
SPMSPERMINEB,D1F6C0.71
SPMSPERMINEA,B1Y8L0.71
SPMSPERMINEA,B1FUF0.71
SPMSPERMINEA,B2F8W0.71
SPMSPERMINEA,B131D0.71
SPMSPERMINEA,B,C,D,E,F,
G,H
1N7A0.71
SPMSPERMINEA1Z7I0.71
SPMSPERMINEA,B2RF30.71
SPMSPERMINEA,B324D0.71
SPMSPERMINEA,B1DPL0.71
SPMSPERMINEA,B1PWF0.71
SPMSPERMINEB2PL80.71
SPMSPERMINEA,B,C,D3BJ80.71
SPMSPERMINEA248D0.71
SPMSPERMINEA,B1RFI0.71
SPMSPERMINEA,B2B8J0.71
SPMSPERMINEA1D100.71
SPMSPERMINEA,B1RGU0.71
SPMSPERMINEA,B428D0.71
SPMSPERMINEA1D480.71
SPMSPERMINEA1I0T0.71
SPMSPERMINED1I2Y0.71
SPMSPERMINEA,B1RG20.71
SPMSPERMINEA,B1YB90.71
SPMSPERMINEA2TRA0.71
SPMSPERMINEA,B1VRO0.71
SPMSPERMINEA206D0.71
SPMSPERMINEB1OFX0.71
SPMSPERMINEA210D0.71
SPMSPERMINEA2GWA0.71
SPMSPERMINEA321D0.71
SPMSPERMINEA,B1S2R0.71
SPMSPERMINEA,B2DCG0.71
SPMSPERMINEA,B2GUN0.71
SPMSPERMINEB2PLB0.71
SPMSPERMINEA,B1EDR0.71
SPMSPERMINEA,B,C,D1J8G0.71
SPMSPERMINEA,B,C,D,E,F,
G,H
1N7B0.71
SPMSPERMINEA,B1Z5T0.71
SPMSPERMINEA1TN20.71
SPMSPERMINEA2D470.71
SPMSPERMINEA1EVV0.71
SPMSPERMINEA,B1XL60.71
SPMSPERMINEA,B410D0.71
SPMSPERMINEA1D150.71
SPMSPERMINEA,B,C3B7P0.71
SPMSPERMINEA,B,C,D3C6M0.71
EPI4-ETHYLPIPERIDINEH,I1FPC0.76
N3DN-methylpropane-1,3-diamineA,B3EY20.81
SPWN,N'-BIS(3-AMMONIOPROPYL)BUTANE-
1,4-DIAMINIUM
A1V9G0.71
P2Y(2S)-PYRROLIDIN-2-YLMETHYLAMINEA,B,C,D1ORW0.71
ETNMETHYLETHYLAMINEA1TES0.76
DIPDIPENTYLAMINEC,D1A1B0.89
DIPDIPENTYLAMINEC,D1A070.89
DIPDIPENTYLAMINEC,D1A1A0.89
DIPDIPENTYLAMINEC,D1A080.89
DIPDIPENTYLAMINEC,D1A090.89
16DHEXANE-1,6-DIAMINEA,B,C2QK90.71
16DHEXANE-1,6-DIAMINEA,B,C,D,E,F1WOG0.71
DIB3-AMINO-(DIMETHYLPROPYLAMINE)A,D,E,G,I,J1S320.75
DIB3-AMINO-(DIMETHYLPROPYLAMINE)E,I,J1M1A0.75
DIB3-AMINO-(DIMETHYLPROPYLAMINE)D,I,J1M180.75
DIB3-AMINO-(DIMETHYLPROPYLAMINE)E,I,J1M190.75
B33N-ETHYL-N-[3-(PROPYLAMINO)PROPYL]PROPANE-
1,3-DIAMINE
A,B2B4B0.73
N2PPENTANE-1,5-DIAMINEA,B2OO00.77
N2PPENTANE-1,5-DIAMINEA,B1H3M0.77
N2PPENTANE-1,5-DIAMINEA,B,C,D1GZL0.77
SPKSPERMINE (FULLY PROTONATED FORM)A,B1SE60.71
SPKSPERMINE (FULLY PROTONATED FORM)B1MG90.71
SPKSPERMINE (FULLY PROTONATED FORM)A1Y0Q0.71
SPKSPERMINE (FULLY PROTONATED FORM)A,B1KGK0.71
SPDSPERMIDINE1,2,3,41POY0.76
SPDSPERMIDINEA,B3BXZ0.76
SPDSPERMIDINEA2ELG0.76
SPDSPERMIDINEA,B,C2PWP0.76
SPDSPERMIDINEA,B1BO40.76
SPDSPERMIDINEA,B,C,D3C6K0.76
SPDSPERMIDINEA,B2O070.76
SPDSPERMIDINEA2P1E0.76
SPDSPERMIDINEA,B293D0.76
SPDSPERMIDINEA,B1TYP0.76
SPDSPERMIDINEA,B,C,D2QBY0.76
SPDSPERMIDINEA,B3CN80.76
SPDSPERMIDINEA1U8D0.76
SPDSPERMIDINEA2P180.76
SPDSPERMIDINEA,B2HMP0.76
SPDSPERMIDINED1I2X0.76
SPDSPERMIDINEA1POT0.76
BNONORLEUCINE BORONIC ACIDA,P6LPR0.75
BNONORLEUCINE BORONIC ACIDA,P3LPR0.75
BNONORLEUCINE BORONIC ACIDA,P1P050.75
TEATRIETHYLAMMONIUM IONA1BD10.71
P241-(AMINOETHYL)AMINO-4-AMINOBUTANEB1O9M0.73
P241-(AMINOETHYL)AMINO-4-AMINOBUTANEA,B292D0.73
DREN-(6-AMINOHEXYL)HEXANE-1,6-DIAMINEA,B1Z6L0.8
PIPPIPERIDINEH1ETS0.83
PIPPIPERIDINEH1ETT0.83
PIPPIPERIDINEE,I1PPC0.83
PIPPIPERIDINEI1QUR0.83
PIPPIPERIDINEE1PPH0.83