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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02282965

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PIPPIPERIDINEH1ETS0.77
PIPPIPERIDINEH1ETT0.77
PIPPIPERIDINEE,I1PPC0.77
PIPPIPERIDINEI1QUR0.77
PIPPIPERIDINEE1PPH0.77
B33N-ETHYL-N-[3-(PROPYLAMINO)PROPYL]PROPANE-
1,3-DIAMINE
A,B2B4B0.8
TEATRIETHYLAMMONIUM IONA1BD10.72
GC71-GUANIDINIUM-7-AMINOHEPTANEA,B1RQD0.76
2EP2-ETHYLPIPERIDINEH,I1A4W0.71
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
HPLHEPTYLFORMAMIDEA,B1U3V0.7
N3DN-methylpropane-1,3-diamineA,B3EY20.82
SPETHERMINEA,B319D0.74
AMLAMYLAMINEA1JIR0.78
DIAOCTANE 1,8-DIAMINEA,B3BI50.71
DIAOCTANE 1,8-DIAMINEA,B,C1H830.71
P241-(AMINOETHYL)AMINO-4-AMINOBUTANEB1O9M0.8
P241-(AMINOETHYL)AMINO-4-AMINOBUTANEA,B292D0.8
EPI4-ETHYLPIPERIDINEH,I1FPC0.71
SPJ(3R,3'R)-N~1~,N~1~'-butane-1,4-
diyldibutane-1,3-diamine
A,B3BNM0.76
P2Y(2S)-PYRROLIDIN-2-YLMETHYLAMINEA,B,C,D1ORW0.71
16DHEXANE-1,6-DIAMINEA,B,C2QK90.79
16DHEXANE-1,6-DIAMINEA,B,C,D,E,F1WOG0.79
PUT1,4-DIAMINOBUTANEA1I7B0.7
PUT1,4-DIAMINOBUTANEA,B3DZ60.7
PUT1,4-DIAMINOBUTANEA,B,C,D1I7M0.7
PUT1,4-DIAMINOBUTANEA1I790.7
PUT1,4-DIAMINOBUTANEA,B2O060.7
PUT1,4-DIAMINOBUTANEA,B1JL00.7
PUT1,4-DIAMINOBUTANEA1I720.7
PUT1,4-DIAMINOBUTANEA,B,C,D1A990.7
PUT1,4-DIAMINOBUTANEA,B3DZ40.7
PUT1,4-DIAMINOBUTANEA,B3H0W0.7
PUT1,4-DIAMINOBUTANEA,B3DZ30.7
PUT1,4-DIAMINOBUTANEA,B1MSV0.7
PUT1,4-DIAMINOBUTANEA1I7C0.7
PUT1,4-DIAMINOBUTANEA,B3DZ70.7
PUT1,4-DIAMINOBUTANEA,B3EPB0.7
PUT1,4-DIAMINOBUTANEA,B,C,D1F3T0.7
PUT1,4-DIAMINOBUTANEA,B3DZ20.7
PUT1,4-DIAMINOBUTANEA,B3DZ50.7
PUT1,4-DIAMINOBUTANEA,B3EPA0.7
PUT1,4-DIAMINOBUTANEA,B3H0V0.7
297dodecane-1,12-diamineA,B3BI20.71
TERN-(3-AMINO-PROPYL)-N-(5-AMINOPROPYL)-
1,4-DIAMINOBUTANE
A,B336D0.77
A72TRANS-BIS(HEXYLAMINE)-(DIAMMINE) PLATINUM(II) COMPLEXA,B2DYW0.74
DREN-(6-AMINOHEXYL)HEXANE-1,6-DIAMINEA,B1Z6L0.87
A71(6-AMINOHEXYLAMINE)(TRIAMMINE) PLATINUM(II) COMPLEXA,B2DYW0.76
BLYLYSINE BORONIC ACIDA,H1BTZ0.73
BLYLYSINE BORONIC ACIDA,H1BTW0.73
LYTBUTYLAMINEA1EAG0.7
MD2N,N'-BIS(2,3-BUTADIENYL)-1,4-BUTANE-
DIAMINE
A,B,C1B5Q0.71
SPZ(3S,3'S)-N~1~,N~1~'-butane-1,4-
diyldibutane-1,3-diamine
A,B3BNU0.76
DIB3-AMINO-(DIMETHYLPROPYLAMINE)A,D,E,G,I,J1S320.76
DIB3-AMINO-(DIMETHYLPROPYLAMINE)E,I,J1M1A0.76
DIB3-AMINO-(DIMETHYLPROPYLAMINE)D,I,J1M180.76
DIB3-AMINO-(DIMETHYLPROPYLAMINE)E,I,J1M190.76
N2PPENTANE-1,5-DIAMINEA,B2OO00.78
N2PPENTANE-1,5-DIAMINEA,B1H3M0.78
N2PPENTANE-1,5-DIAMINEA,B,C,D1GZL0.78
SPDSPERMIDINE1,2,3,41POY0.83
SPDSPERMIDINEA,B3BXZ0.83
SPDSPERMIDINEA2ELG0.83
SPDSPERMIDINEA,B,C2PWP0.83
SPDSPERMIDINEA,B1BO40.83
SPDSPERMIDINEA,B,C,D3C6K0.83
SPDSPERMIDINEA,B2O070.83
SPDSPERMIDINEA2P1E0.83
SPDSPERMIDINEA,B293D0.83
SPDSPERMIDINEA,B1TYP0.83
SPDSPERMIDINEA,B,C,D2QBY0.83
SPDSPERMIDINEA,B3CN80.83
SPDSPERMIDINEA1U8D0.83
SPDSPERMIDINEA2P180.83
SPDSPERMIDINEA,B2HMP0.83
SPDSPERMIDINED1I2X0.83
SPDSPERMIDINEA1POT0.83
ETNMETHYLETHYLAMINEA1TES0.7
DIPDIPENTYLAMINEC,D1A1B0.9
DIPDIPENTYLAMINEC,D1A070.9
DIPDIPENTYLAMINEC,D1A1A0.9
DIPDIPENTYLAMINEC,D1A080.9
DIPDIPENTYLAMINEC,D1A090.9
SPWN,N'-BIS(3-AMMONIOPROPYL)BUTANE-
1,4-DIAMINIUM
A1V9G0.77
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
BNONORLEUCINE BORONIC ACIDA,P6LPR0.7
BNONORLEUCINE BORONIC ACIDA,P3LPR0.7
BNONORLEUCINE BORONIC ACIDA,P1P050.7