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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03404058

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
DIB3-AMINO-(DIMETHYLPROPYLAMINE)A,D,E,G,I,J1S320.72
DIB3-AMINO-(DIMETHYLPROPYLAMINE)E,I,J1M1A0.72
DIB3-AMINO-(DIMETHYLPROPYLAMINE)D,I,J1M180.72
DIB3-AMINO-(DIMETHYLPROPYLAMINE)E,I,J1M190.72
DNH1R,2R-DIAMINOCYCLOHEXANEA,B1IHH0.7
16DHEXANE-1,6-DIAMINEA,B,C2QK90.83
16DHEXANE-1,6-DIAMINEA,B,C,D,E,F1WOG0.83
LEN3-METHYLBUTAN-1-AMINEA1PE50.78
LEN3-METHYLBUTAN-1-AMINEA1PE70.78
LEN3-METHYLBUTAN-1-AMINEA1PE80.78
DCI2-METHYL-BUTYLAMINEE,I1ENT0.78
DCI2-METHYL-BUTYLAMINEA,I1GVW0.78
DCI2-METHYL-BUTYLAMINEE1EPP0.78
DCI2-METHYL-BUTYLAMINEI4ER10.78
IBN2-METHYLPROPAN-1-AMINEA,B2QDY0.77
3CN3-AMINOPROPANEA,B,C,D3C0R0.8
3CN3-AMINOPROPANEB3BY40.8
1CBCYCLOPENTANAMINEA2AS60.72
BLYLYSINE BORONIC ACIDA,H1BTZ0.76
BLYLYSINE BORONIC ACIDA,H1BTW0.76
PUT1,4-DIAMINOBUTANEA1I7B1
PUT1,4-DIAMINOBUTANEA,B3DZ61
PUT1,4-DIAMINOBUTANEA,B,C,D1I7M1
PUT1,4-DIAMINOBUTANEA1I791
PUT1,4-DIAMINOBUTANEA,B2O061
PUT1,4-DIAMINOBUTANEA,B1JL01
PUT1,4-DIAMINOBUTANEA1I721
PUT1,4-DIAMINOBUTANEA,B,C,D1A991
PUT1,4-DIAMINOBUTANEA,B3DZ41
PUT1,4-DIAMINOBUTANEA,B3H0W1
PUT1,4-DIAMINOBUTANEA,B3DZ31
PUT1,4-DIAMINOBUTANEA,B1MSV1
PUT1,4-DIAMINOBUTANEA1I7C1
PUT1,4-DIAMINOBUTANEA,B3DZ71
PUT1,4-DIAMINOBUTANEA,B3EPB1
PUT1,4-DIAMINOBUTANEA,B,C,D1F3T1
PUT1,4-DIAMINOBUTANEA,B3DZ21
PUT1,4-DIAMINOBUTANEA,B3DZ51
PUT1,4-DIAMINOBUTANEA,B3EPA1
PUT1,4-DIAMINOBUTANEA,B3H0V1
N2PPENTANE-1,5-DIAMINEA,B2OO00.9
N2PPENTANE-1,5-DIAMINEA,B1H3M0.9
N2PPENTANE-1,5-DIAMINEA,B,C,D1GZL0.9
LYTBUTYLAMINEA1EAG0.9
SPDSPERMIDINE1,2,3,41POY0.73
SPDSPERMIDINEA,B3BXZ0.73
SPDSPERMIDINEA2ELG0.73
SPDSPERMIDINEA,B,C2PWP0.73
SPDSPERMIDINEA,B1BO40.73
SPDSPERMIDINEA,B,C,D3C6K0.73
SPDSPERMIDINEA,B2O070.73
SPDSPERMIDINEA2P1E0.73
SPDSPERMIDINEA,B293D0.73
SPDSPERMIDINEA,B1TYP0.73
SPDSPERMIDINEA,B,C,D2QBY0.73
SPDSPERMIDINEA,B3CN80.73
SPDSPERMIDINEA1U8D0.73
SPDSPERMIDINEA2P180.73
SPDSPERMIDINEA,B2HMP0.73
SPDSPERMIDINED1I2X0.73
SPDSPERMIDINEA1POT0.73
NEHETHANAMINEA1YY20.7
NEHETHANAMINEA,B2IBI0.7
NPTNEOPENTYLAMINEI1IVQ0.73
DIAOCTANE 1,8-DIAMINEA,B3BI50.73
DIAOCTANE 1,8-DIAMINEA,B,C1H830.73
P241-(AMINOETHYL)AMINO-4-AMINOBUTANEB1O9M0.7
P241-(AMINOETHYL)AMINO-4-AMINOBUTANEA,B292D0.7
297dodecane-1,12-diamineA,B3BI20.73
AMLAMYLAMINEA1JIR0.82
A71(6-AMINOHEXYLAMINE)(TRIAMMINE) PLATINUM(II) COMPLEXA,B2DYW0.79
BNONORLEUCINE BORONIC ACIDA,P6LPR0.72
BNONORLEUCINE BORONIC ACIDA,P3LPR0.72
BNONORLEUCINE BORONIC ACIDA,P1P050.72
BPTBIS(TRANS-PLATINUM ETHYLENEDIAMINE DIAMINE CHLORO)COMPLEXA1AU60.83
13D1,3-DIAMINOPROPANEA,B2F8W0.85
LPTCIS-(AMMINE)(CYCLOHEXYLAMINE)PLATINUM(II) COMPLEXA,C1LU50.73
A72TRANS-BIS(HEXYLAMINE)-(DIAMMINE) PLATINUM(II) COMPLEXA,B2DYW0.7
N3DN-methylpropane-1,3-diamineA,B3EY20.72