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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00017208

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
TNC4-DIMETHYLAMINO-1,10,11,12-TETRAHYDROXY-
3-OXO-3,4,4A,5-TETRAHYDRO-NAPHTHACENE-
2-CARBOXYLIC ACID AMIDE
A,B1N5Q0.73
ATC9-(N,N-DIMETHYLGLYCYLAMIDO)-6-DEOXY-
6-DEMETHYL-TETRACYCLINE
A1ORK0.72
CTC7-CHLOROTETRACYCLINEA1BJ00.9
CTC7-CHLOROTETRACYCLINEA,B1BJY0.9
CTC7-CHLOROTETRACYCLINEA2FJ10.9
CTC7-CHLOROTETRACYCLINEA1DU70.9
CTC7-CHLOROTETRACYCLINEA,B3EGZ0.9
CTC7-CHLOROTETRACYCLINEA2TCT0.9
MIY(4S,4AS,5AR,12AS)-4,7-BIS(DIMETHYLAMINO)-
3,10,12,12A-TETRAHYDROXY-1,11-DIOXO-
1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-
2-CARBOXAMIDE
A2DRD0.73
TDC5A,6-ANHYDROTETRACYCLINEA2VKV0.8
TDC5A,6-ANHYDROTETRACYCLINEA2VPR0.8
DXT(4S,4AR,5S,5AR,6R,12AS)-4-(DIMETHYLAMINO)-
3,5,10,12,12A-PENTAHYDROXY-6-METHYL-
1,11-DIOXO-1,4,4A,5,5A,6,11,12A-
OCTAHYDROTETRACENE-2-CARBOXAMIDE
A2O7O0.79
TACTETRACYCLINEA,B,C,D,E,F,
G,H,I,J,K,L
2HDN0.83
TACTETRACYCLINEA2VKE0.83
TACTETRACYCLINEA2TRT0.83
TACTETRACYCLINEB2UXO0.83
TACTETRACYCLINEA,B,D,E,G,H,
J,K,L,N,P,Q,
R,T
1I970.83
TACTETRACYCLINEA,D,H,N1HNW0.83
TACTETRACYCLINEA,B2HCJ0.83
D2C(2S,4S,4AR,5AS,6S,11R,11AS,12R,12AR)-
7-CHLORO-4-(DIMETHYLAMINO)-6,10,11,12-
TETRAHYDROXY-1,3-DIOXO-1,2,3,4,4A,5,5A,6,11,11A,12,12A-
DODECAHYDROTETRACENE-2-CARBOXAMIDE
A,D,M,N,Z2F4V0.89