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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02345457

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
LYTBUTYLAMINEA1EAG0.79
LPTCIS-(AMMINE)(CYCLOHEXYLAMINE)PLATINUM(II) COMPLEXA,C1LU50.79
LEN3-METHYLBUTAN-1-AMINEA1PE50.7
LEN3-METHYLBUTAN-1-AMINEA1PE70.7
LEN3-METHYLBUTAN-1-AMINEA1PE80.7
DCI2-METHYL-BUTYLAMINEE,I1ENT0.7
DCI2-METHYL-BUTYLAMINEA,I1GVW0.7
DCI2-METHYL-BUTYLAMINEE1EPP0.7
DCI2-METHYL-BUTYLAMINEI4ER10.7
HAICYCLOHEXYLAMMONIUM IONA1NAW0.75
HAICYCLOHEXYLAMMONIUM IONA,B2H520.75
HAICYCLOHEXYLAMMONIUM IONA,B1EJD0.75
HAICYCLOHEXYLAMMONIUM IONA,B2HHJ0.75
N3DN-methylpropane-1,3-diamineA,B3EY20.71
CDE1,2-DIMETHYL-PROPYLAMINEC1B0R0.74
3CN3-AMINOPROPANEA,B,C,D3C0R0.71
3CN3-AMINOPROPANEB3BY40.71
N2PPENTANE-1,5-DIAMINEA,B2OO00.8
N2PPENTANE-1,5-DIAMINEA,B1H3M0.8
N2PPENTANE-1,5-DIAMINEA,B,C,D1GZL0.8
1CBCYCLOPENTANAMINEA2AS60.78
BNONORLEUCINE BORONIC ACIDA,P6LPR0.71
BNONORLEUCINE BORONIC ACIDA,P3LPR0.71
BNONORLEUCINE BORONIC ACIDA,P1P050.71
DNH1R,2R-DIAMINOCYCLOHEXANEA,B1IHH0.76
16DHEXANE-1,6-DIAMINEA,B,C2QK90.74
16DHEXANE-1,6-DIAMINEA,B,C,D,E,F1WOG0.74
AMLAMYLAMINEA1JIR0.8
A71(6-AMINOHEXYLAMINE)(TRIAMMINE) PLATINUM(II) COMPLEXA,B2DYW0.71
DIB3-AMINO-(DIMETHYLPROPYLAMINE)A,D,E,G,I,J1S320.71
DIB3-AMINO-(DIMETHYLPROPYLAMINE)E,I,J1M1A0.71
DIB3-AMINO-(DIMETHYLPROPYLAMINE)D,I,J1M180.71
DIB3-AMINO-(DIMETHYLPROPYLAMINE)E,I,J1M190.71
PUT1,4-DIAMINOBUTANEA1I7B0.79
PUT1,4-DIAMINOBUTANEA,B3DZ60.79
PUT1,4-DIAMINOBUTANEA,B,C,D1I7M0.79
PUT1,4-DIAMINOBUTANEA1I790.79
PUT1,4-DIAMINOBUTANEA,B2O060.79
PUT1,4-DIAMINOBUTANEA,B1JL00.79
PUT1,4-DIAMINOBUTANEA1I720.79
PUT1,4-DIAMINOBUTANEA,B,C,D1A990.79
PUT1,4-DIAMINOBUTANEA,B3DZ40.79
PUT1,4-DIAMINOBUTANEA,B3H0W0.79
PUT1,4-DIAMINOBUTANEA,B3DZ30.79
PUT1,4-DIAMINOBUTANEA,B1MSV0.79
PUT1,4-DIAMINOBUTANEA1I7C0.79
PUT1,4-DIAMINOBUTANEA,B3DZ70.79
PUT1,4-DIAMINOBUTANEA,B3EPB0.79
PUT1,4-DIAMINOBUTANEA,B,C,D1F3T0.79
PUT1,4-DIAMINOBUTANEA,B3DZ20.79
PUT1,4-DIAMINOBUTANEA,B3DZ50.79
PUT1,4-DIAMINOBUTANEA,B3EPA0.79
PUT1,4-DIAMINOBUTANEA,B3H0V0.79
A72TRANS-BIS(HEXYLAMINE)-(DIAMMINE) PLATINUM(II) COMPLEXA,B2DYW0.7
13D1,3-DIAMINOPROPANEA,B2F8W0.75
SPJ(3R,3'R)-N~1~,N~1~'-butane-1,4-
diyldibutane-1,3-diamine
A,B3BNM0.72