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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03081197

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
TACTETRACYCLINEA,B,C,D,E,F,
G,H,I,J,K,L		2HDN0.72
TACTETRACYCLINEA2VKE0.72
TACTETRACYCLINEA2TRT0.72
TACTETRACYCLINEB2UXO0.72
TACTETRACYCLINEA,B,D,E,G,H,
J,K,L,N,P,Q,
R,T		1I970.72
TACTETRACYCLINEA,D,H,N1HNW0.72
TACTETRACYCLINEA,B2HCJ0.72
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
DDIA1R4E0.72
DDIA1P960.72
NCSB1KVH0.79
NCSA2NEO0.79
RUTRUTINA,B1RY80.76
BDA4-METHYLBENZYL-N-BIS[DAUNOMYCIN]A1AL90.83
BDA4-METHYLBENZYL-N-BIS[DAUNOMYCIN]A1AGL0.83
DH2(2S,3S)-2-(3,4-DIHYDROXYPHENYL)-
3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H-
CHROMEN-4-ONE		A1GP50.71
DH2(2S,3S)-2-(3,4-DIHYDROXYPHENYL)-
3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H-
CHROMEN-4-ONE		A1GP60.71
AKV{3-[(1R,3S)-1,3-DIHYDROXYPENTYL]-
4,5,9,10-TETRAHYDROXY-2-ANTHRYL}ACETATE		A,B,C,D2F990.72
TDC5A,6-ANHYDROTETRACYCLINEA2VKV0.72
TDC5A,6-ANHYDROTETRACYCLINEA2VPR0.72
DMM3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)-
DOXORUBICIN		A215D0.85
DMM3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)-
DOXORUBICIN		A235D0.85
DMM3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)-
DOXORUBICIN		A234D0.85
DMM3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)-
DOXORUBICIN		A,B2DES0.85
BNRBIS-DAUNORUBICINB1AMD0.8
DM9N-HYDROXYMETHYL-N-(2-METHOXYETHYL)-
DAUNOMYCIN		A482D0.8
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		A2O7O0.75
AI1N-BENZYL-3-(ALPHA-D-GALACTOS-1-
YL)-BENZAMIDE		D,E,F,G,H,L,
M,N,O,P		1FD70.71
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,B1NAB0.88
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,B1TW20.86
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,B1TW30.86
AKYA,B,C,D2IPI0.83
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,B3C9W0.74
AKA10-DECARBOXYMETHYLACLACINOMYCIN A (DCMAA)A1Q0Z0.83
MUS4-METHYL-2-OXO-2H-CHROMEN-7-YL 5-
(ACETYLAMINO)-3,5-DIDEOXY-L-ERYTHRO-
NON-2-ULOPYRANOSIDONIC ACID		A1S0J0.7
DM74'-DEOXY-4'-IODODOXORUBICINA1IMR0.89
DM74'-DEOXY-4'-IODODOXORUBICINA1IMS0.89
NGMNOGALAMYCINA,B,C,D258D0.8
NGMNOGALAMYCINA282D0.8
NGMNOGALAMYCINA,B224D0.8
NGMNOGALAMYCINA,B245D0.8
NGMNOGALAMYCINA,B1QCH0.8
NGMNOGALAMYCINA1D170.8
NGMNOGALAMYCINA,B1D210.8
NGMNOGALAMYCINA,B182D0.8
DM41-O-DEMETHYL-6-DEOXYDOXORUBICINA1D370.91
NODN-ETHYLHYDROXY-DOXORUBICINA385D0.89
NCZ2-HYDROXY-7-METHOXY-5-METHYL-NAPHTHALENE-
1-CARBOXYLIC ACID MESO-2,5-DIHYDROXY-
CYCLOPENT-3-ENYL ESTER		A1J5I0.72
FRR(3R,5Z,8S,9S,11E)-8,9,16-TRIHYDROXY-
14-METHOXY-3-METHYL-3,4,9,10-TETRAHYDRO-
1H-2-BENZOXACYCLOTETRADECINE-1,7(8H)-
DIONE		A2E140.73
HEHHEDAMYCINA1JHI0.78
CMD3'-DESAMINO-3'-(3-CYANO-4-MORPHOLINYL)-
DOXORUBICIN		A236D0.83
S2AA2OEY0.78
CHRNEOCARZINOSTATIN-CHROMOPHOREA1O5P0.77
CHRNEOCARZINOSTATIN-CHROMOPHOREA,B1NCO0.77
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
7CA5,7-DIHYDROXY-2-(4-METHOXYPHENYL)-
8-(3-METHYLBUTYL)-4-OXO-4H-CHROMEN-
3-YL 6-DEOXY-ALPHA-L-MANNOPYRANOSIDE		A2H440.77
DQH(2R,3R)-2-(3,4-DIHYDROXYPHENYL)-
3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H-
CHROMEN-4-ONE		A1GP50.71
DQH(2R,3R)-2-(3,4-DIHYDROXYPHENYL)-
3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H-
CHROMEN-4-ONE		D,F2C290.71
NGPNOGALAMYCIN (PROTONATED FORM)A1L0R0.83
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
DM64'-EPIDOXORUBICINA1D150.93
DM64'-EPIDOXORUBICINA1D540.93
DM64'-EPIDOXORUBICINA1D580.93
DM64'-EPIDOXORUBICINA1QDA0.93
1137,8-DIHYDROXY-1-METHOXY-3-METHYL-
10-OXO-4,10-DIHYDRO-1H,3H-PYRANO[4,3-
B]CHROMENE-9-CARBOXYLIC ACID		A,B1KR30.71
1137,8-DIHYDROXY-1-METHOXY-3-METHYL-
10-OXO-4,10-DIHYDRO-1H,3H-PYRANO[4,3-
B]CHROMENE-9-CARBOXYLIC ACID		A,B1HLK0.71
DZNDAIDZINA,B,C,D,E,F,
G,H		2VLE0.77
DM2DOXORUBICINA2DR60.93
DM2DOXORUBICINA1P200.93
DM2DOXORUBICINA1I1E0.93
DM2DOXORUBICINA151D0.93
DM2DOXORUBICINA1D120.93
DM2DOXORUBICINA1DA90.93
DM36-DEOXYDAUNOMYCINA1D140.93
2HI(2S,3R)-2,7-DIHYDROXY-3-(4-HYDROXYPHENYL)-
2,3-DIHYDRO-4H-CHROMEN-4-ONE		A1ZG30.73
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
TXLTAXOTEREA,B,K1IA00.72
TXLTAXOTEREA,B1TUB0.72
DM82'-BROMO-4'-EPIDAUNORUBICINA276D0.9
DM82'-BROMO-4'-EPIDAUNORUBICINA288D0.9
DM82'-BROMO-4'-EPIDAUNORUBICINA277D0.9
DM82'-BROMO-4'-EPIDAUNORUBICINA,B380D0.9
DM82'-BROMO-4'-EPIDAUNORUBICINA,B381D0.9
DM82'-BROMO-4'-EPIDAUNORUBICINA278D0.9
DM1DAUNOMYCINA152D0.93
DM1DAUNOMYCINA,B,C,D1O0K0.93
DM1DAUNOMYCINA1JO20.93
DM1DAUNOMYCINA,B308D0.93
DM1DAUNOMYCINA1D330.93
DM1DAUNOMYCINA110D0.93
DM1DAUNOMYCINA1D110.93
DM1DAUNOMYCINA427D0.93
DM1DAUNOMYCINA2D340.93
DM1DAUNOMYCINA3F8F0.93
DM1DAUNOMYCINA1D100.93
DM1DAUNOMYCINA1DA00.93
STGESTRIOL 3-(B-D-GLUCURONIDE)H2BFV0.75
STGESTRIOL 3-(B-D-GLUCURONIDE)H,L1BFV0.75
SHP(4-HYDROXYMALTOSEPHENYL)GLYCINEA1DSR0.72
NGUU-58872, HYDROXY DERIVATIVE OF NOGALAMYCINA,B1D220.8
MNGMENOGARILA,B202D0.82
AKT10-DECARBOXYMETHYLACLACINOMYCIN T (DCMAT)A1Q0R0.85
TA1TAXOLA,B1JFF0.7
TA1TAXOLA,B,C2HXH0.7
TA1TAXOLA,B,N3DCO0.7
TA1TAXOLA,B,K2P4N0.7
TA1TAXOLA,B,D,F,G3EDL0.7
TA1TAXOLA,B,C2HXF0.7
TA1TAXOLA,B,C2WBE0.7
MAR4'-EPI-4'-(2-DEOXYFUCOSE)DAUNOMYCINA1D360.91
MAR4'-EPI-4'-(2-DEOXYFUCOSE)DAUNOMYCINA1R680.91
MAR4'-EPI-4'-(2-DEOXYFUCOSE)DAUNOMYCINA1D350.91
TBH5-(2-{2-[(TERT-BUTOXY-HYDROXY-METHYL)-
AMINO]-1-HYDROXY-3-PHENYL-PROPYLAMINO}-
3-HYDROXY-3-PENTYLAMINO-PROPYL)-
2-CARBOXYMETHOXY-BENZOIC ACID		B1JF70.73
GGTTrioxacarcin AA,B3C2J0.73
E3GESTRONE BETA-D-GLUCURONIDEH,L1CFV0.76
NCGA1MP70.7
DRA11-DEOXY-BETA-RHODOMYCINA,B1XDS0.83