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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02499198

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
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		A2O7O0.74
NGVMETHYL 5,7-DIHYDROXY-2-METHYL-4,6,11-
TRIOXO-3,4,6,11-TETRAHYDROTETRACENE-
1-CARBOXYLATE		A,B,C,D2F980.72
NGVMETHYL 5,7-DIHYDROXY-2-METHYL-4,6,11-
TRIOXO-3,4,6,11-TETRAHYDROTETRACENE-
1-CARBOXYLATE		A1SJW0.72
DRA11-DEOXY-BETA-RHODOMYCINA,B1XDS0.95
7CA5,7-DIHYDROXY-2-(4-METHOXYPHENYL)-
8-(3-METHYLBUTYL)-4-OXO-4H-CHROMEN-
3-YL 6-DEOXY-ALPHA-L-MANNOPYRANOSIDE		A2H440.75
B8L3-[(3-SEC-BUTYL-4-HYDROXYBENZOYL)AMINO]AZEPAN-
4-YL 4-(2-HYDROXY-5-METHOXYBENZOYL)BENZOATE		A1REK0.7
DMM3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)-
DOXORUBICIN		A215D0.96
DMM3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)-
DOXORUBICIN		A235D0.96
DMM3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)-
DOXORUBICIN		A234D0.96
DMM3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)-
DOXORUBICIN		A,B2DES0.96
NGMNOGALAMYCINA,B,C,D258D0.88
NGMNOGALAMYCINA282D0.88
NGMNOGALAMYCINA,B224D0.88
NGMNOGALAMYCINA,B245D0.88
NGMNOGALAMYCINA,B1QCH0.88
NGMNOGALAMYCINA1D170.88
NGMNOGALAMYCINA,B1D210.88
NGMNOGALAMYCINA,B182D0.88
MAR4'-EPI-4'-(2-DEOXYFUCOSE)DAUNOMYCINA1D360.9
MAR4'-EPI-4'-(2-DEOXYFUCOSE)DAUNOMYCINA1R680.9
MAR4'-EPI-4'-(2-DEOXYFUCOSE)DAUNOMYCINA1D350.9
AKYA,B,C,D2IPI0.94
CMD3'-DESAMINO-3'-(3-CYANO-4-MORPHOLINYL)-
DOXORUBICIN		A236D0.94
NCSB1KVH0.76
NCSA2NEO0.76
TBH5-(2-{2-[(TERT-BUTOXY-HYDROXY-METHYL)-
AMINO]-1-HYDROXY-3-PHENYL-PROPYLAMINO}-
3-HYDROXY-3-PENTYLAMINO-PROPYL)-
2-CARBOXYMETHOXY-BENZOIC ACID		B1JF70.71
DDIA1R4E0.7
DDIA1P960.7
HMY(1aR,8S,13S,14S,15aR)-5,13,14-trihydroxy-
3-methoxy-8-methyl-8,9,13,14,15,15a-
hexahydro-6H-oxireno[k][2]benzoxacyclotetradecine-
6,12(1aH)-dione		A,B3C9W0.7
DM74'-DEOXY-4'-IODODOXORUBICINA1IMR0.85
DM74'-DEOXY-4'-IODODOXORUBICINA1IMS0.85
NCZ2-HYDROXY-7-METHOXY-5-METHYL-NAPHTHALENE-
1-CARBOXYLIC ACID MESO-2,5-DIHYDROXY-
CYCLOPENT-3-ENYL ESTER		A1J5I0.72
BDA4-METHYLBENZYL-N-BIS[DAUNOMYCIN]A1AL90.87
BDA4-METHYLBENZYL-N-BIS[DAUNOMYCIN]A1AGL0.87
ZCTA,B,C,D,E,F,
G,H		3B6A0.72
DM9N-HYDROXYMETHYL-N-(2-METHOXYETHYL)-
DAUNOMYCIN		A482D0.88
CPB2-(2-CHLORO-PHENYL)-5,7-DIHYDROXY-
8-(3-HYDROXY-1-METHYL-PIPERIDIN-
4-YL)-4H-BENZOPYRAN-4-ONE		A1E1Y0.73
CPB2-(2-CHLORO-PHENYL)-5,7-DIHYDROXY-
8-(3-HYDROXY-1-METHYL-PIPERIDIN-
4-YL)-4H-BENZOPYRAN-4-ONE		A,B3BLR0.73
CPB2-(2-CHLORO-PHENYL)-5,7-DIHYDROXY-
8-(3-HYDROXY-1-METHYL-PIPERIDIN-
4-YL)-4H-BENZOPYRAN-4-ONE		A1C8K0.73
NODN-ETHYLHYDROXY-DOXORUBICINA385D0.92
DM36-DEOXYDAUNOMYCINA1D140.88
DM82'-BROMO-4'-EPIDAUNORUBICINA276D0.86
DM82'-BROMO-4'-EPIDAUNORUBICINA288D0.86
DM82'-BROMO-4'-EPIDAUNORUBICINA277D0.86
DM82'-BROMO-4'-EPIDAUNORUBICINA,B380D0.86
DM82'-BROMO-4'-EPIDAUNORUBICINA,B381D0.86
DM82'-BROMO-4'-EPIDAUNORUBICINA278D0.86
DM5IDARUBICINA,B,D198D0.9
DM5IDARUBICINA1D380.9
DM5IDARUBICINA1D670.9
CRH1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1-
METHOXY-2-OXY-3,4-DIHYDROXYPENTYL)-
8,9-DIHYROXY-7-METHYLANTHRACENE		A,B146D0.71
CRH1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1-
METHOXY-2-OXY-3,4-DIHYDROXYPENTYL)-
8,9-DIHYROXY-7-METHYLANTHRACENE		A,B207D0.71
NGPNOGALAMYCIN (PROTONATED FORM)A1L0R0.83
NOVNOVOBIOCINA,B1KIJ0.72
NOVNOVOBIOCINA,B1S140.72
NOVNOVOBIOCINA1AJ60.72
NGUU-58872, HYDROXY DERIVATIVE OF NOGALAMYCINA,B1D220.88
DXA1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1-
METHOXY-2-OXY-3,4-DIHYDROXYPENTYL)-
8,9-DIHYDROXY-7-(SEC-BUTYL)-ANTHRACENE		A,B1CP80.71
AKT10-DECARBOXYMETHYLACLACINOMYCIN T (DCMAT)A1Q0R0.97
TDC5A,6-ANHYDROTETRACYCLINEA2VKV0.71
TDC5A,6-ANHYDROTETRACYCLINEA2VPR0.71
BA1BALANOLA1BX60.73
AKV{3-[(1R,3S)-1,3-DIHYDROXYPENTYL]-
4,5,9,10-TETRAHYDROXY-2-ANTHRYL}ACETATE		A,B,C,D2F990.76
DM1DAUNOMYCINA152D0.89
DM1DAUNOMYCINA,B,C,D1O0K0.89
DM1DAUNOMYCINA1JO20.89
DM1DAUNOMYCINA,B308D0.89
DM1DAUNOMYCINA1D330.89
DM1DAUNOMYCINA110D0.89
DM1DAUNOMYCINA1D110.89
DM1DAUNOMYCINA427D0.89
DM1DAUNOMYCINA2D340.89
DM1DAUNOMYCINA3F8F0.89
DM1DAUNOMYCINA1D100.89
DM1DAUNOMYCINA1DA00.89
DXB1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1-
METHOXY-2-OXY-3,4-DIHYDROXYPENTYL)-
8,9-DIHYDROXY-7-METHYL-ANTHRACENE		A,B1BP80.71
DM41-O-DEMETHYL-6-DEOXYDOXORUBICINA1D370.9
AKA10-DECARBOXYMETHYLACLACINOMYCIN A (DCMAA)A1Q0Z0.95
BNRBIS-DAUNORUBICINB1AMD0.85
DM64'-EPIDOXORUBICINA1D150.89
DM64'-EPIDOXORUBICINA1D540.89
DM64'-EPIDOXORUBICINA1D580.89
DM64'-EPIDOXORUBICINA1QDA0.89
DM2DOXORUBICINA2DR60.89
DM2DOXORUBICINA1P200.89
DM2DOXORUBICINA1I1E0.89
DM2DOXORUBICINA151D0.89
DM2DOXORUBICINA1D120.89
DM2DOXORUBICINA1DA90.89
TACTETRACYCLINEA,B,C,D,E,F,
G,H,I,J,K,L		2HDN0.71
TACTETRACYCLINEA2VKE0.71
TACTETRACYCLINEA2TRT0.71
TACTETRACYCLINEB2UXO0.71
TACTETRACYCLINEA,B,D,E,G,H,
J,K,L,N,P,Q,
R,T		1I970.71
TACTETRACYCLINEA,D,H,N1HNW0.71
TACTETRACYCLINEA,B2HCJ0.71
HEHHEDAMYCINA1JHI0.8
NCGA1MP70.72
GGTTrioxacarcin AA,B3C2J0.74
2HI(2S,3R)-2,7-DIHYDROXY-3-(4-HYDROXYPHENYL)-
2,3-DIHYDRO-4H-CHROMEN-4-ONE		A1ZG30.7
MNGMENOGARILA,B202D0.9
RUTRUTINA,B1RY80.74
DZNDAIDZINA,B,C,D,E,F,
G,H		2VLE0.75
CHRNEOCARZINOSTATIN-CHROMOPHOREA1O5P0.79
CHRNEOCARZINOSTATIN-CHROMOPHOREA,B1NCO0.79
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,B1NAB0.91
S2AA2OEY0.76
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,B1TW20.94
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,B1TW30.94