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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01090719

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
NGPNOGALAMYCIN (PROTONATED FORM)A1L0R0.71
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
A2O7O0.92
ECAN,N',N''-[BENZENE-1,3,5-TRIYLTRIS(METHYLENE)]TRIS(2,3-
DIHYDROXYBENZAMIDE)
A,B2CHU0.73
MNGMENOGARILA,B202D0.7
ERTMETHYL (4R)-2-ETHYL-2,5,12-TRIHYDROXY-
7-METHOXY-6,11-DIOXO-4-{[2,3,6-
TRIDEOXY-3-(DIMETHYLAMINO)-BETA-
D-RIBO-HEXOPYRANOSYL]OXY}-1H,2H,3H,4H,6H,11H-
TETRACENE-1-CARBOXYLATE
A,B1TW20.7
ERTMETHYL (4R)-2-ETHYL-2,5,12-TRIHYDROXY-
7-METHOXY-6,11-DIOXO-4-{[2,3,6-
TRIDEOXY-3-(DIMETHYLAMINO)-BETA-
D-RIBO-HEXOPYRANOSYL]OXY}-1H,2H,3H,4H,6H,11H-
TETRACENE-1-CARBOXYLATE
A,B1TW30.7
PY94-{[(2R)-2-(2-methylphenyl)pyrrolidin-
1-yl]carbonyl}benzene-1,3-diol
A,B3EKR0.74
TNC4-DIMETHYLAMINO-1,10,11,12-TETRAHYDROXY-
3-OXO-3,4,4A,5-TETRAHYDRO-NAPHTHACENE-
2-CARBOXYLIC ACID AMIDE
A,B1N5Q0.86
TACTETRACYCLINEA,B,C,D,E,F,
G,H,I,J,K,L
2HDN0.96
TACTETRACYCLINEA2VKE0.96
TACTETRACYCLINEA2TRT0.96
TACTETRACYCLINEB2UXO0.96
TACTETRACYCLINEA,B,D,E,G,H,
J,K,L,N,P,Q,
R,T
1I970.96
TACTETRACYCLINEA,D,H,N1HNW0.96
TACTETRACYCLINEA,B2HCJ0.96
HEHHEDAMYCINA1JHI0.7
TDC5A,6-ANHYDROTETRACYCLINEA2VKV0.84
TDC5A,6-ANHYDROTETRACYCLINEA2VPR0.84
CTC7-CHLOROTETRACYCLINEA1BJ00.88
CTC7-CHLOROTETRACYCLINEA,B1BJY0.88
CTC7-CHLOROTETRACYCLINEA2FJ10.88
CTC7-CHLOROTETRACYCLINEA1DU70.88
CTC7-CHLOROTETRACYCLINEA,B3EGZ0.88
CTC7-CHLOROTETRACYCLINEA2TCT0.88
EB4N,N',N''-[(3S,7S,11S)-2,6,10-trioxo-
1,5,9-trioxacyclododecane-3,7,11-
triyl]tris(2,3-dihydroxybenzamide)
A,B,C3CMP0.71
CPH1,8-DIHYDROXY-7-METHYL-3-(1,3,4-
TRIHYDROXY-2-OXO-PENTYL)-3,10-DIHYDRO-
2H-ANTHRACEN-9-ONE
A,B1D830.72
CPH1,8-DIHYDROXY-7-METHYL-3-(1,3,4-
TRIHYDROXY-2-OXO-PENTYL)-3,10-DIHYDRO-
2H-ANTHRACEN-9-ONE
A,B1EKH0.72
CPH1,8-DIHYDROXY-7-METHYL-3-(1,3,4-
TRIHYDROXY-2-OXO-PENTYL)-3,10-DIHYDRO-
2H-ANTHRACEN-9-ONE
A,B1EKI0.72
CPH1,8-DIHYDROXY-7-METHYL-3-(1,3,4-
TRIHYDROXY-2-OXO-PENTYL)-3,10-DIHYDRO-
2H-ANTHRACEN-9-ONE
A,B,C,D1VAQ0.72
629[2-AMINO-3-(4-HYDROXY-PHENYL)-PROPIONYLAMINO]-
(1,3,4,5-TETRAHYDROXY-4-HYDROXYMETHYL-
PIPERIDIN-2-YL)- ACETIC ACID
A1JIJ0.71
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,Z2F4V0.78
OBE3-(3-HYDROXY-BENZOYLOXY)-8-METHYL-
8-AZA-BICYCLO[3.2.1]OCTANE-2-CARBOXYLIC ACID
H1RIV0.7
BA1BALANOLA1BX60.7
AKT10-DECARBOXYMETHYLACLACINOMYCIN T (DCMAT)A1Q0R0.73
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
A2DRD0.83
ARYARYLOMYCIN A2A,B1T7D0.71
DM41-O-DEMETHYL-6-DEOXYDOXORUBICINA1D370.71
5PH5-[5-(1-CARBOXYMETHYL-2-OXO-PROPYLCARBAMOYL)-
5-PHENYL-PENTYLSULFAMOYL]-2-HYDROXY-
BENZOIC ACID
A1RWV0.71
485[2-AMINO-3-(4-HYDROXY-PHENYL)-PROPIONYLAMINO]-
(3,4,5-TRIHYDROXY-6-METHYL-TETRAHYDRO-
PYRAN-2-YL)- ACETIC ACID
A1JIL0.71
ATC9-(N,N-DIMETHYLGLYCYLAMIDO)-6-DEOXY-
6-DEMETHYL-TETRACYCLINE
A1ORK0.8