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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01728090

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
TEATRIETHYLAMMONIUM IONA1BD10.77
4PN4-PIPERIDINO-PIPERIDINEA1K4Y0.74
TERN-(3-AMINO-PROPYL)-N-(5-AMINOPROPYL)-
1,4-DIAMINOBUTANE
A,B336D0.81
AMLAMYLAMINEA1JIR0.7
DIB3-AMINO-(DIMETHYLPROPYLAMINE)A,D,E,G,I,J1S320.74
DIB3-AMINO-(DIMETHYLPROPYLAMINE)E,I,J1M1A0.74
DIB3-AMINO-(DIMETHYLPROPYLAMINE)D,I,J1M180.74
DIB3-AMINO-(DIMETHYLPROPYLAMINE)E,I,J1M190.74
DIPDIPENTYLAMINEC,D1A1B0.93
DIPDIPENTYLAMINEC,D1A070.93
DIPDIPENTYLAMINEC,D1A1A0.93
DIPDIPENTYLAMINEC,D1A080.93
DIPDIPENTYLAMINEC,D1A090.93
SPETHERMINEA,B319D0.78
SPWN,N'-BIS(3-AMMONIOPROPYL)BUTANE-
1,4-DIAMINIUM
A1V9G0.81
SPMSPERMINEA,B1RH00.81
SPMSPERMINEA1ICK0.81
SPMSPERMINEA,B,D198D0.81
SPMSPERMINEA,B1RGT0.81
SPMSPERMINEA,B1Y840.81
SPMSPERMINEA2O3Y0.81
SPMSPERMINEA100D0.81
SPMSPERMINEA,B,C,D3EUI0.81
SPMSPERMINEA,B1FQ20.81
SPMSPERMINEB320D0.81
SPMSPERMINEA,B,C,D1XPQ0.81
SPMSPERMINEA,B,C,D,E,F2C120.81
SPMSPERMINEA1M690.81
SPMSPERMINEA1WOE0.81
SPMSPERMINEA,B1DCR0.81
SPMSPERMINEA,B323D0.81
SPMSPERMINEA,B326D0.81
SPMSPERMINEA1D120.81
SPMSPERMINEA211D0.81
SPMSPERMINEA,B355D0.81
SPMSPERMINEA,B1XPF0.81
SPMSPERMINEA,B1I1P0.81
SPMSPERMINEA1DNS0.81
SPMSPERMINEA,B2B2B0.81
SPMSPERMINEA,B1RG10.81
SPMSPERMINEA,B,C,D258D0.81
SPMSPERMINEA,B1RFF0.81
SPMSPERMINEA,B1EI40.81
SPMSPERMINEB,D1F6C0.81
SPMSPERMINEA,B1Y8L0.81
SPMSPERMINEA,B1FUF0.81
SPMSPERMINEA,B2F8W0.81
SPMSPERMINEA,B131D0.81
SPMSPERMINEA,B,C,D,E,F,
G,H
1N7A0.81
SPMSPERMINEA1Z7I0.81
SPMSPERMINEA,B2RF30.81
SPMSPERMINEA,B324D0.81
SPMSPERMINEA,B1DPL0.81
SPMSPERMINEA,B1PWF0.81
SPMSPERMINEB2PL80.81
SPMSPERMINEA,B,C,D3BJ80.81
SPMSPERMINEA248D0.81
SPMSPERMINEA,B1RFI0.81
SPMSPERMINEA,B2B8J0.81
SPMSPERMINEA1D100.81
SPMSPERMINEA,B1RGU0.81
SPMSPERMINEA,B428D0.81
SPMSPERMINEA1D480.81
SPMSPERMINEA1I0T0.81
SPMSPERMINED1I2Y0.81
SPMSPERMINEA,B1RG20.81
SPMSPERMINEA,B1YB90.81
SPMSPERMINEA2TRA0.81
SPMSPERMINEA,B1VRO0.81
SPMSPERMINEA206D0.81
SPMSPERMINEB1OFX0.81
SPMSPERMINEA210D0.81
SPMSPERMINEA2GWA0.81
SPMSPERMINEA321D0.81
SPMSPERMINEA,B1S2R0.81
SPMSPERMINEA,B2DCG0.81
SPMSPERMINEA,B2GUN0.81
SPMSPERMINEB2PLB0.81
SPMSPERMINEA,B1EDR0.81
SPMSPERMINEA,B,C,D1J8G0.81
SPMSPERMINEA,B,C,D,E,F,
G,H
1N7B0.81
SPMSPERMINEA,B1Z5T0.81
SPMSPERMINEA1TN20.81
SPMSPERMINEA2D470.81
SPMSPERMINEA1EVV0.81
SPMSPERMINEA,B1XL60.81
SPMSPERMINEA,B410D0.81
SPMSPERMINEA1D150.81
SPMSPERMINEA,B,C3B7P0.81
SPMSPERMINEA,B,C,D3C6M0.81
MD2N,N'-BIS(2,3-BUTADIENYL)-1,4-BUTANE-
DIAMINE
A,B,C1B5Q0.74
SPJ(3R,3'R)-N~1~,N~1~'-butane-1,4-
diyldibutane-1,3-diamine
A,B3BNM0.79
16DHEXANE-1,6-DIAMINEA,B,C2QK90.71
16DHEXANE-1,6-DIAMINEA,B,C,D,E,F1WOG0.71
SPKSPERMINE (FULLY PROTONATED FORM)A,B1SE60.81
SPKSPERMINE (FULLY PROTONATED FORM)B1MG90.81
SPKSPERMINE (FULLY PROTONATED FORM)A1Y0Q0.81
SPKSPERMINE (FULLY PROTONATED FORM)A,B1KGK0.81
P241-(AMINOETHYL)AMINO-4-AMINOBUTANEB1O9M0.78
P241-(AMINOETHYL)AMINO-4-AMINOBUTANEA,B292D0.78
2EP2-ETHYLPIPERIDINEH,I1A4W0.7
SPZ(3S,3'S)-N~1~,N~1~'-butane-1,4-
diyldibutane-1,3-diamine
A,B3BNU0.79
B33N-ETHYL-N-[3-(PROPYLAMINO)PROPYL]PROPANE-
1,3-DIAMINE
A,B2B4B0.84
N3DN-methylpropane-1,3-diamineA,B3EY20.74
SPDSPERMIDINE1,2,3,41POY0.81
SPDSPERMIDINEA,B3BXZ0.81
SPDSPERMIDINEA2ELG0.81
SPDSPERMIDINEA,B,C2PWP0.81
SPDSPERMIDINEA,B1BO40.81
SPDSPERMIDINEA,B,C,D3C6K0.81
SPDSPERMIDINEA,B2O070.81
SPDSPERMIDINEA2P1E0.81
SPDSPERMIDINEA,B293D0.81
SPDSPERMIDINEA,B1TYP0.81
SPDSPERMIDINEA,B,C,D2QBY0.81
SPDSPERMIDINEA,B3CN80.81
SPDSPERMIDINEA1U8D0.81
SPDSPERMIDINEA2P180.81
SPDSPERMIDINEA,B2HMP0.81
SPDSPERMIDINED1I2X0.81
SPDSPERMIDINEA1POT0.81
N2PPENTANE-1,5-DIAMINEA,B2OO00.7
N2PPENTANE-1,5-DIAMINEA,B1H3M0.7
N2PPENTANE-1,5-DIAMINEA,B,C,D1GZL0.7
A72TRANS-BIS(HEXYLAMINE)-(DIAMMINE) PLATINUM(II) COMPLEXA,B2DYW0.73
PIPPIPERIDINEH1ETS0.76
PIPPIPERIDINEH1ETT0.76
PIPPIPERIDINEE,I1PPC0.76
PIPPIPERIDINEI1QUR0.76
PIPPIPERIDINEE1PPH0.76
EPI4-ETHYLPIPERIDINEH,I1FPC0.7
GC71-GUANIDINIUM-7-AMINOHEPTANEA,B1RQD0.75
P2Y(2S)-PYRROLIDIN-2-YLMETHYLAMINEA,B,C,D1ORW0.7
DREN-(6-AMINOHEXYL)HEXANE-1,6-DIAMINEA,B1Z6L0.9