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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02396347

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
AKT10-DECARBOXYMETHYLACLACINOMYCIN T (DCMAT)A1Q0R0.71
B8L3-[(3-SEC-BUTYL-4-HYDROXYBENZOYL)AMINO]AZEPAN-
4-YL 4-(2-HYDROXY-5-METHOXYBENZOYL)BENZOATE
A1REK0.7
HEHHEDAMYCINA1JHI0.74
DRA11-DEOXY-BETA-RHODOMYCINA,B1XDS0.7
C39N-[(2S,4S,5S,7R)-4-AMINO-8-(BUTYLAMINO)-
5-HYDROXY-7-METHYL-2-(1-METHYLETHYL)-
8-OXOOCTYL]-2-(3-METHOXYPROPOXY)BENZAMIDE
C,O2V120.7
TNC4-DIMETHYLAMINO-1,10,11,12-TETRAHYDROXY-
3-OXO-3,4,4A,5-TETRAHYDRO-NAPHTHACENE-
2-CARBOXYLIC ACID AMIDE
A,B1N5Q0.74
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,Z2F4V0.76
NODN-ETHYLHYDROXY-DOXORUBICINA385D0.72
PCYPACTAMYCINA,D,H,N1HNX0.71
TDC5A,6-ANHYDROTETRACYCLINEA2VKV0.85
TDC5A,6-ANHYDROTETRACYCLINEA2VPR0.85
ATC9-(N,N-DIMETHYLGLYCYLAMIDO)-6-DEOXY-
6-DEMETHYL-TETRACYCLINE
A1ORK0.74
CTC7-CHLOROTETRACYCLINEA1BJ00.81
CTC7-CHLOROTETRACYCLINEA,B1BJY0.81
CTC7-CHLOROTETRACYCLINEA2FJ10.81
CTC7-CHLOROTETRACYCLINEA1DU70.81
CTC7-CHLOROTETRACYCLINEA,B3EGZ0.81
CTC7-CHLOROTETRACYCLINEA2TCT0.81
BNRBIS-DAUNORUBICINB1AMD0.71
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
A2DRD0.76
DM5IDARUBICINA,B,D198D0.7
DM5IDARUBICINA1D380.7
DM5IDARUBICINA1D670.7
NGPNOGALAMYCIN (PROTONATED FORM)A1L0R0.72
TACTETRACYCLINEA,B,C,D,E,F,
G,H,I,J,K,L
2HDN0.87
TACTETRACYCLINEA2VKE0.87
TACTETRACYCLINEA2TRT0.87
TACTETRACYCLINEB2UXO0.87
TACTETRACYCLINEA,B,D,E,G,H,
J,K,L,N,P,Q,
R,T
1I970.87
TACTETRACYCLINEA,D,H,N1HNW0.87
TACTETRACYCLINEA,B2HCJ0.87
AKYA,B,C,D2IPI0.7
AKA10-DECARBOXYMETHYLACLACINOMYCIN A (DCMAA)A1Q0Z0.7
44D7-[5-(4-AMINO-5-HYDROXY-6-METHYL-
TETRAHYDRO-PYRAN-2-YLOXY)-4-HYDROXY-
6-METHYL-TETRAHYDRO-PYRAN-2-YLOXY]-
6,9,11-TRIHYDROXY-9-(2-HYDROXY-
ACETYL)-7,8,9,10-TETRAHYDRO-NAPHTHACENE-
5,12-DIONE
A,B1NAB0.7
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
A2O7O0.87
HBZN-{[(4-hydroxyphenyl)carbonyl]carbamoyl}-
beta-D-glucopyranosylamine
A2QN70.71
ARYARYLOMYCIN A2A,B1T7D0.71
DM41-O-DEMETHYL-6-DEOXYDOXORUBICINA1D370.71
BA1BALANOLA1BX60.72
BDA4-METHYLBENZYL-N-BIS[DAUNOMYCIN]A1AL90.7
BDA4-METHYLBENZYL-N-BIS[DAUNOMYCIN]A1AGL0.7