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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00010540

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
TEATRIETHYLAMMONIUM IONA1BD10.77
TERN-(3-AMINO-PROPYL)-N-(5-AMINOPROPYL)-
1,4-DIAMINOBUTANE
A,B336D0.76
P241-(AMINOETHYL)AMINO-4-AMINOBUTANEB1O9M0.79
P241-(AMINOETHYL)AMINO-4-AMINOBUTANEA,B292D0.79
IBN2-METHYLPROPAN-1-AMINEA,B2QDY0.72
PUT1,4-DIAMINOBUTANEA1I7B0.75
PUT1,4-DIAMINOBUTANEA,B3DZ60.75
PUT1,4-DIAMINOBUTANEA,B,C,D1I7M0.75
PUT1,4-DIAMINOBUTANEA1I790.75
PUT1,4-DIAMINOBUTANEA,B2O060.75
PUT1,4-DIAMINOBUTANEA,B1JL00.75
PUT1,4-DIAMINOBUTANEA1I720.75
PUT1,4-DIAMINOBUTANEA,B,C,D1A990.75
PUT1,4-DIAMINOBUTANEA,B3DZ40.75
PUT1,4-DIAMINOBUTANEA,B3H0W0.75
PUT1,4-DIAMINOBUTANEA,B3DZ30.75
PUT1,4-DIAMINOBUTANEA,B1MSV0.75
PUT1,4-DIAMINOBUTANEA1I7C0.75
PUT1,4-DIAMINOBUTANEA,B3DZ70.75
PUT1,4-DIAMINOBUTANEA,B3EPB0.75
PUT1,4-DIAMINOBUTANEA,B,C,D1F3T0.75
PUT1,4-DIAMINOBUTANEA,B3DZ20.75
PUT1,4-DIAMINOBUTANEA,B3DZ50.75
PUT1,4-DIAMINOBUTANEA,B3EPA0.75
PUT1,4-DIAMINOBUTANEA,B3H0V0.75
ETNMETHYLETHYLAMINEA1TES0.83
LEN3-METHYLBUTAN-1-AMINEA1PE50.73
LEN3-METHYLBUTAN-1-AMINEA1PE70.73
LEN3-METHYLBUTAN-1-AMINEA1PE80.73
N3DN-methylpropane-1,3-diamineA,B3EY20.88
SPMSPERMINEA,B1RH00.76
SPMSPERMINEA1ICK0.76
SPMSPERMINEA,B,D198D0.76
SPMSPERMINEA,B1RGT0.76
SPMSPERMINEA,B1Y840.76
SPMSPERMINEA2O3Y0.76
SPMSPERMINEA100D0.76
SPMSPERMINEA,B,C,D3EUI0.76
SPMSPERMINEA,B1FQ20.76
SPMSPERMINEB320D0.76
SPMSPERMINEA,B,C,D1XPQ0.76
SPMSPERMINEA,B,C,D,E,F2C120.76
SPMSPERMINEA1M690.76
SPMSPERMINEA1WOE0.76
SPMSPERMINEA,B1DCR0.76
SPMSPERMINEA,B323D0.76
SPMSPERMINEA,B326D0.76
SPMSPERMINEA1D120.76
SPMSPERMINEA211D0.76
SPMSPERMINEA,B355D0.76
SPMSPERMINEA,B1XPF0.76
SPMSPERMINEA,B1I1P0.76
SPMSPERMINEA1DNS0.76
SPMSPERMINEA,B2B2B0.76
SPMSPERMINEA,B1RG10.76
SPMSPERMINEA,B,C,D258D0.76
SPMSPERMINEA,B1RFF0.76
SPMSPERMINEA,B1EI40.76
SPMSPERMINEB,D1F6C0.76
SPMSPERMINEA,B1Y8L0.76
SPMSPERMINEA,B1FUF0.76
SPMSPERMINEA,B2F8W0.76
SPMSPERMINEA,B131D0.76
SPMSPERMINEA,B,C,D,E,F,
G,H
1N7A0.76
SPMSPERMINEA1Z7I0.76
SPMSPERMINEA,B2RF30.76
SPMSPERMINEA,B324D0.76
SPMSPERMINEA,B1DPL0.76
SPMSPERMINEA,B1PWF0.76
SPMSPERMINEB2PL80.76
SPMSPERMINEA,B,C,D3BJ80.76
SPMSPERMINEA248D0.76
SPMSPERMINEA,B1RFI0.76
SPMSPERMINEA,B2B8J0.76
SPMSPERMINEA1D100.76
SPMSPERMINEA,B1RGU0.76
SPMSPERMINEA,B428D0.76
SPMSPERMINEA1D480.76
SPMSPERMINEA1I0T0.76
SPMSPERMINED1I2Y0.76
SPMSPERMINEA,B1RG20.76
SPMSPERMINEA,B1YB90.76
SPMSPERMINEA2TRA0.76
SPMSPERMINEA,B1VRO0.76
SPMSPERMINEA206D0.76
SPMSPERMINEB1OFX0.76
SPMSPERMINEA210D0.76
SPMSPERMINEA2GWA0.76
SPMSPERMINEA321D0.76
SPMSPERMINEA,B1S2R0.76
SPMSPERMINEA,B2DCG0.76
SPMSPERMINEA,B2GUN0.76
SPMSPERMINEB2PLB0.76
SPMSPERMINEA,B1EDR0.76
SPMSPERMINEA,B,C,D1J8G0.76
SPMSPERMINEA,B,C,D,E,F,
G,H
1N7B0.76
SPMSPERMINEA,B1Z5T0.76
SPMSPERMINEA1TN20.76
SPMSPERMINEA2D470.76
SPMSPERMINEA1EVV0.76
SPMSPERMINEA,B1XL60.76
SPMSPERMINEA,B410D0.76
SPMSPERMINEA1D150.76
SPMSPERMINEA,B,C3B7P0.76
SPMSPERMINEA,B,C,D3C6M0.76
SPZ(3S,3'S)-N~1~,N~1~'-butane-1,4-
diyldibutane-1,3-diamine
A,B3BNU0.74
LYTBUTYLAMINEA1EAG0.83
SPWN,N'-BIS(3-AMMONIOPROPYL)BUTANE-
1,4-DIAMINIUM
A1V9G0.76
DREN-(6-AMINOHEXYL)HEXANE-1,6-DIAMINEA,B1Z6L0.73
SPETHERMINEA,B319D0.72
B33N-ETHYL-N-[3-(PROPYLAMINO)PROPYL]PROPANE-
1,3-DIAMINE
A,B2B4B0.79
DCI2-METHYL-BUTYLAMINEE,I1ENT0.73
DCI2-METHYL-BUTYLAMINEA,I1GVW0.73
DCI2-METHYL-BUTYLAMINEE1EPP0.73
DCI2-METHYL-BUTYLAMINEI4ER10.73
3CN3-AMINOPROPANEA,B,C,D3C0R0.74
3CN3-AMINOPROPANEB3BY40.74
SPKSPERMINE (FULLY PROTONATED FORM)A,B1SE60.76
SPKSPERMINE (FULLY PROTONATED FORM)B1MG90.76
SPKSPERMINE (FULLY PROTONATED FORM)A1Y0Q0.76
SPKSPERMINE (FULLY PROTONATED FORM)A,B1KGK0.76
DIB3-AMINO-(DIMETHYLPROPYLAMINE)A,D,E,G,I,J1S320.81
DIB3-AMINO-(DIMETHYLPROPYLAMINE)E,I,J1M1A0.81
DIB3-AMINO-(DIMETHYLPROPYLAMINE)D,I,J1M180.81
DIB3-AMINO-(DIMETHYLPROPYLAMINE)E,I,J1M190.81
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
SPJ(3R,3'R)-N~1~,N~1~'-butane-1,4-
diyldibutane-1,3-diamine
A,B3BNM0.74
PIPPIPERIDINEH1ETS0.76
PIPPIPERIDINEH1ETT0.76
PIPPIPERIDINEE,I1PPC0.76
PIPPIPERIDINEI1QUR0.76
PIPPIPERIDINEE1PPH0.76
AMLAMYLAMINEA1JIR0.76
DIPDIPENTYLAMINEC,D1A1B0.82
DIPDIPENTYLAMINEC,D1A070.82
DIPDIPENTYLAMINEC,D1A1A0.82
DIPDIPENTYLAMINEC,D1A080.82
DIPDIPENTYLAMINEC,D1A090.82