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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02476451

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
DM9N-HYDROXYMETHYL-N-(2-METHOXYETHYL)-
DAUNOMYCIN		A482D0.82
DDIA1R4E0.72
DDIA1P960.72
DM41-O-DEMETHYL-6-DEOXYDOXORUBICINA1D370.93
MAR4'-EPI-4'-(2-DEOXYFUCOSE)DAUNOMYCINA1D360.9
MAR4'-EPI-4'-(2-DEOXYFUCOSE)DAUNOMYCINA1R680.9
MAR4'-EPI-4'-(2-DEOXYFUCOSE)DAUNOMYCINA1D350.9
7CA5,7-DIHYDROXY-2-(4-METHOXYPHENYL)-
8-(3-METHYLBUTYL)-4-OXO-4H-CHROMEN-
3-YL 6-DEOXY-ALPHA-L-MANNOPYRANOSIDE		A2H440.73
TDC5A,6-ANHYDROTETRACYCLINEA2VKV0.72
TDC5A,6-ANHYDROTETRACYCLINEA2VPR0.72
DM82'-BROMO-4'-EPIDAUNORUBICINA276D0.89
DM82'-BROMO-4'-EPIDAUNORUBICINA288D0.89
DM82'-BROMO-4'-EPIDAUNORUBICINA277D0.89
DM82'-BROMO-4'-EPIDAUNORUBICINA,B380D0.89
DM82'-BROMO-4'-EPIDAUNORUBICINA,B381D0.89
DM82'-BROMO-4'-EPIDAUNORUBICINA278D0.89
EH5N-(1-BENZYL-3-{[3-(1,3-DIOXO-1,3-
DIHYDRO-ISOINDOL-2-YL)-PROPIONYL]-
[2-(HEXAHYDRO-BENZO[1,3]DIOXOL-
5-YL)-ETHYL]-AMINO}-2-HYDROXY-PROPYL)-
4-BENZYLOXY-3,5-DIMETHOXY-BENZAMIDE		A1LF30.71
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		A2O7O0.75
PCYPACTAMYCINA,D,H,N1HNX0.71
EB4N,N',N''-[(3S,7S,11S)-2,6,10-trioxo-
1,5,9-trioxacyclododecane-3,7,11-
triyl]tris(2,3-dihydroxybenzamide)		A,B,C3CMP0.72
AKYA,B,C,D2IPI0.88
B8L3-[(3-SEC-BUTYL-4-HYDROXYBENZOYL)AMINO]AZEPAN-
4-YL 4-(2-HYDROXY-5-METHOXYBENZOYL)BENZOATE		A1REK0.73
AKV{3-[(1R,3S)-1,3-DIHYDROXYPENTYL]-
4,5,9,10-TETRAHYDROXY-2-ANTHRYL}ACETATE		A,B,C,D2F990.75
BD23-[(4-HYDROXYBENZOYL)AMINO]AZEPAN-
4-YL 4-(2-HYDROXYBENZOYL)BENZOATE		A1RE80.72
AKA10-DECARBOXYMETHYLACLACINOMYCIN A (DCMAA)A1Q0Z0.9
BDA4-METHYLBENZYL-N-BIS[DAUNOMYCIN]A1AL90.87
BDA4-METHYLBENZYL-N-BIS[DAUNOMYCIN]A1AGL0.87
NGUU-58872, HYDROXY DERIVATIVE OF NOGALAMYCINA,B1D220.84
NODN-ETHYLHYDROXY-DOXORUBICINA385D0.93
S2AA2OEY0.78
INX2-(CARBOXYMETHOXY)-5-[(2S)-2-({(2S)-
2-[(3-CARBOXYPROPANOYL)AMINO] -
3-PHENYLPROPANOYL}AMINO)-3-OXO-
3-(PENTYLAMINO)PROPYL]BENZOIC ACID		A1G7G0.71
BNRBIS-DAUNORUBICINB1AMD0.84
NOVNOVOBIOCINA,B1KIJ0.72
NOVNOVOBIOCINA,B1S140.72
NOVNOVOBIOCINA1AJ60.72
DM2DOXORUBICINA2DR60.92
DM2DOXORUBICINA1P200.92
DM2DOXORUBICINA1I1E0.92
DM2DOXORUBICINA151D0.92
DM2DOXORUBICINA1D120.92
DM2DOXORUBICINA1DA90.92
DM64'-EPIDOXORUBICINA1D150.92
DM64'-EPIDOXORUBICINA1D540.92
DM64'-EPIDOXORUBICINA1D580.92
DM64'-EPIDOXORUBICINA1QDA0.92
TA1TAXOLA,B1JFF0.73
TA1TAXOLA,B,C2HXH0.73
TA1TAXOLA,B,N3DCO0.73
TA1TAXOLA,B,K2P4N0.73
TA1TAXOLA,B,D,F,G3EDL0.73
TA1TAXOLA,B,C2HXF0.73
TA1TAXOLA,B,C2WBE0.73
GGTTrioxacarcin AA,B3C2J0.72
NCSB1KVH0.77
NCSA2NEO0.77
DM74'-DEOXY-4'-IODODOXORUBICINA1IMR0.88
DM74'-DEOXY-4'-IODODOXORUBICINA1IMS0.88
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,B1TW20.9
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,B1TW30.9
CMD3'-DESAMINO-3'-(3-CYANO-4-MORPHOLINYL)-
DOXORUBICIN		A236D0.86
CHRNEOCARZINOSTATIN-CHROMOPHOREA1O5P0.8
CHRNEOCARZINOSTATIN-CHROMOPHOREA,B1NCO0.8
DM1DAUNOMYCINA152D0.92
DM1DAUNOMYCINA,B,C,D1O0K0.92
DM1DAUNOMYCINA1JO20.92
DM1DAUNOMYCINA,B308D0.92
DM1DAUNOMYCINA1D330.92
DM1DAUNOMYCINA110D0.92
DM1DAUNOMYCINA1D110.92
DM1DAUNOMYCINA427D0.92
DM1DAUNOMYCINA2D340.92
DM1DAUNOMYCINA3F8F0.92
DM1DAUNOMYCINA1D100.92
DM1DAUNOMYCINA1DA00.92
RUTRUTINA,B1RY80.72
MNGMENOGARILA,B202D0.87
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,B1NAB0.92
FLQN-[6-(ACETYLAMINO)HEXYL]-3',6'-
DIHYDROXY-3-OXO-3H-SPIRO[2-BENZOFURAN-
1,9'-XANTHENE]-6-CARBOXAMIDE		C2FDC0.71
HEHHEDAMYCINA1JHI0.8
NCGA1MP70.75
NGVMETHYL 5,7-DIHYDROXY-2-METHYL-4,6,11-
TRIOXO-3,4,6,11-TETRAHYDROTETRACENE-
1-CARBOXYLATE		A,B,C,D2F980.71
NGVMETHYL 5,7-DIHYDROXY-2-METHYL-4,6,11-
TRIOXO-3,4,6,11-TETRAHYDROTETRACENE-
1-CARBOXYLATE		A1SJW0.71
DM36-DEOXYDAUNOMYCINA1D140.91
AI1N-BENZYL-3-(ALPHA-D-GALACTOS-1-
YL)-BENZAMIDE		D,E,F,G,H,L,
M,N,O,P		1FD70.74
DRA11-DEOXY-BETA-RHODOMYCINA,B1XDS0.9
ZCTA,B,C,D,E,F,
G,H		3B6A0.71
MUS4-METHYL-2-OXO-2H-CHROMEN-7-YL 5-
(ACETYLAMINO)-3,5-DIDEOXY-L-ERYTHRO-
NON-2-ULOPYRANOSIDONIC ACID		A1S0J0.71
DZNDAIDZINA,B,C,D,E,F,
G,H		2VLE0.74
DM5IDARUBICINA,B,D198D0.93
DM5IDARUBICINA1D380.93
DM5IDARUBICINA1D670.93
DMM3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)-
DOXORUBICIN		A215D0.88
DMM3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)-
DOXORUBICIN		A235D0.88
DMM3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)-
DOXORUBICIN		A234D0.88
DMM3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)-
DOXORUBICIN		A,B2DES0.88
TBH5-(2-{2-[(TERT-BUTOXY-HYDROXY-METHYL)-
AMINO]-1-HYDROXY-3-PHENYL-PROPYLAMINO}-
3-HYDROXY-3-PENTYLAMINO-PROPYL)-
2-CARBOXYMETHOXY-BENZOIC ACID		B1JF70.73
NGPNOGALAMYCIN (PROTONATED FORM)A1L0R0.84
TXLTAXOTEREA,B,K1IA00.74
TXLTAXOTEREA,B1TUB0.74
NCZ2-HYDROXY-7-METHOXY-5-METHYL-NAPHTHALENE-
1-CARBOXYLIC ACID MESO-2,5-DIHYDROXY-
CYCLOPENT-3-ENYL ESTER		A1J5I0.71
AKT10-DECARBOXYMETHYLACLACINOMYCIN T (DCMAT)A1Q0R0.93
BA1BALANOLA1BX60.77
NGMNOGALAMYCINA,B,C,D258D0.84
NGMNOGALAMYCINA282D0.84
NGMNOGALAMYCINA,B224D0.84
NGMNOGALAMYCINA,B245D0.84
NGMNOGALAMYCINA,B1QCH0.84
NGMNOGALAMYCINA1D170.84
NGMNOGALAMYCINA,B1D210.84
NGMNOGALAMYCINA,B182D0.84
485[2-AMINO-3-(4-HYDROXY-PHENYL)-PROPIONYLAMINO]-
(3,4,5-TRIHYDROXY-6-METHYL-TETRAHYDRO-
PYRAN-2-YL)- ACETIC ACID		A1JIL0.71