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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02901094

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PIPPIPERIDINEH1ETS0.72
PIPPIPERIDINEH1ETT0.72
PIPPIPERIDINEE,I1PPC0.72
PIPPIPERIDINEI1QUR0.72
PIPPIPERIDINEE1PPH0.72
GC71-GUANIDINIUM-7-AMINOHEPTANEA,B1RQD0.71
104N,N'-BIS(2-AMINOETHYL)-1,2-ETHANEDIAMINEA,B1DJ60.73
PAWN-(2-AMINOETHYL)-N'-{2-[(2-AMINOETHYL)AMINO]ETHYL}ETHANE-
1,2-DIAMINE
A,B2IE10.77
N3DN-methylpropane-1,3-diamineA,B3EY20.82
SP5N-[3-({4-[(3-aminopropyl)amino]butyl}amino)propyl]acetamideA,B3CND0.73
SPETHERMINEA,B319D0.86
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
SPDSPERMIDINE1,2,3,41POY0.89
SPDSPERMIDINEA,B3BXZ0.89
SPDSPERMIDINEA2ELG0.89
SPDSPERMIDINEA,B,C2PWP0.89
SPDSPERMIDINEA,B1BO40.89
SPDSPERMIDINEA,B,C,D3C6K0.89
SPDSPERMIDINEA,B2O070.89
SPDSPERMIDINEA2P1E0.89
SPDSPERMIDINEA,B293D0.89
SPDSPERMIDINEA,B1TYP0.89
SPDSPERMIDINEA,B,C,D2QBY0.89
SPDSPERMIDINEA,B3CN80.89
SPDSPERMIDINEA1U8D0.89
SPDSPERMIDINEA2P180.89
SPDSPERMIDINEA,B2HMP0.89
SPDSPERMIDINED1I2X0.89
SPDSPERMIDINEA1POT0.89
DREN-(6-AMINOHEXYL)HEXANE-1,6-DIAMINEA,B1Z6L0.87
AG31-{4-[(3-aminopropyl)amino]butyl}guanidineA,C,E2ZSU0.7
AG31-{4-[(3-aminopropyl)amino]butyl}guanidineA,B,C,D2E5W0.7
P241-(AMINOETHYL)AMINO-4-AMINOBUTANEB1O9M0.86
P241-(AMINOETHYL)AMINO-4-AMINOBUTANEA,B292D0.86
LYTBUTYLAMINEA1EAG0.7
B33N-ETHYL-N-[3-(PROPYLAMINO)PROPYL]PROPANE-
1,3-DIAMINE
A,B2B4B0.93
MD2N,N'-BIS(2,3-BUTADIENYL)-1,4-BUTANE-
DIAMINE
A,B,C1B5Q0.81
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
SP7N-{(1S)-3-[(4-aminobutyl)amino]-
1-methylpropyl}acetamide
A,B3CNP0.71
ETNMETHYLETHYLAMINEA1TES0.7
DIPDIPENTYLAMINEC,D1A1B0.9
DIPDIPENTYLAMINEC,D1A070.9
DIPDIPENTYLAMINEC,D1A1A0.9
DIPDIPENTYLAMINEC,D1A080.9
DIPDIPENTYLAMINEC,D1A090.9