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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00009627

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
SPZ(3S,3'S)-N~1~,N~1~'-butane-1,4-
diyldibutane-1,3-diamine
A,B3BNU0.72
DIB3-AMINO-(DIMETHYLPROPYLAMINE)A,D,E,G,I,J1S321
DIB3-AMINO-(DIMETHYLPROPYLAMINE)E,I,J1M1A1
DIB3-AMINO-(DIMETHYLPROPYLAMINE)D,I,J1M181
DIB3-AMINO-(DIMETHYLPROPYLAMINE)E,I,J1M191
B33N-ETHYL-N-[3-(PROPYLAMINO)PROPYL]PROPANE-
1,3-DIAMINE
A,B2B4B0.82
TEATRIETHYLAMMONIUM IONA1BD10.74
PUT1,4-DIAMINOBUTANEA1I7B0.72
PUT1,4-DIAMINOBUTANEA,B3DZ60.72
PUT1,4-DIAMINOBUTANEA,B,C,D1I7M0.72
PUT1,4-DIAMINOBUTANEA1I790.72
PUT1,4-DIAMINOBUTANEA,B2O060.72
PUT1,4-DIAMINOBUTANEA,B1JL00.72
PUT1,4-DIAMINOBUTANEA1I720.72
PUT1,4-DIAMINOBUTANEA,B,C,D1A990.72
PUT1,4-DIAMINOBUTANEA,B3DZ40.72
PUT1,4-DIAMINOBUTANEA,B3H0W0.72
PUT1,4-DIAMINOBUTANEA,B3DZ30.72
PUT1,4-DIAMINOBUTANEA,B1MSV0.72
PUT1,4-DIAMINOBUTANEA1I7C0.72
PUT1,4-DIAMINOBUTANEA,B3DZ70.72
PUT1,4-DIAMINOBUTANEA,B3EPB0.72
PUT1,4-DIAMINOBUTANEA,B,C,D1F3T0.72
PUT1,4-DIAMINOBUTANEA,B3DZ20.72
PUT1,4-DIAMINOBUTANEA,B3DZ50.72
PUT1,4-DIAMINOBUTANEA,B3EPA0.72
PUT1,4-DIAMINOBUTANEA,B3H0V0.72
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
3CN3-AMINOPROPANEA,B,C,D3C0R0.71
3CN3-AMINOPROPANEB3BY40.71
SPDSPERMIDINE1,2,3,41POY0.79
SPDSPERMIDINEA,B3BXZ0.79
SPDSPERMIDINEA2ELG0.79
SPDSPERMIDINEA,B,C2PWP0.79
SPDSPERMIDINEA,B1BO40.79
SPDSPERMIDINEA,B,C,D3C6K0.79
SPDSPERMIDINEA,B2O070.79
SPDSPERMIDINEA2P1E0.79
SPDSPERMIDINEA,B293D0.79
SPDSPERMIDINEA,B1TYP0.79
SPDSPERMIDINEA,B,C,D2QBY0.79
SPDSPERMIDINEA,B3CN80.79
SPDSPERMIDINEA1U8D0.79
SPDSPERMIDINEA2P180.79
SPDSPERMIDINEA,B2HMP0.79
SPDSPERMIDINED1I2X0.79
SPDSPERMIDINEA1POT0.79
P241-(AMINOETHYL)AMINO-4-AMINOBUTANEB1O9M0.7
P241-(AMINOETHYL)AMINO-4-AMINOBUTANEA,B292D0.7
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
SPWN,N'-BIS(3-AMMONIOPROPYL)BUTANE-
1,4-DIAMINIUM
A1V9G0.73
LYTBUTYLAMINEA1EAG0.72
N3DN-methylpropane-1,3-diamineA,B3EY20.92
SPETHERMINEA,B319D0.76
ETNMETHYLETHYLAMINEA1TES0.72
TERN-(3-AMINO-PROPYL)-N-(5-AMINOPROPYL)-
1,4-DIAMINOBUTANE
A,B336D0.73
13D1,3-DIAMINOPROPANEA,B2F8W0.75
SPJ(3R,3'R)-N~1~,N~1~'-butane-1,4-
diyldibutane-1,3-diamine
A,B3BNM0.72