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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02455961

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
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,B1NAB0.9
NGPNOGALAMYCIN (PROTONATED FORM)A1L0R0.87
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,B3C9W0.72
TDC5A,6-ANHYDROTETRACYCLINEA2VKV0.7
TDC5A,6-ANHYDROTETRACYCLINEA2VPR0.7
NCZ2-HYDROXY-7-METHOXY-5-METHYL-NAPHTHALENE-
1-CARBOXYLIC ACID MESO-2,5-DIHYDROXY-
CYCLOPENT-3-ENYL ESTER		A1J5I0.74
1137,8-DIHYDROXY-1-METHOXY-3-METHYL-
10-OXO-4,10-DIHYDRO-1H,3H-PYRANO[4,3-
B]CHROMENE-9-CARBOXYLIC ACID		A,B1KR30.72
1137,8-DIHYDROXY-1-METHOXY-3-METHYL-
10-OXO-4,10-DIHYDRO-1H,3H-PYRANO[4,3-
B]CHROMENE-9-CARBOXYLIC ACID		A,B1HLK0.72
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,B1TW20.96
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,B1TW30.96
BDA4-METHYLBENZYL-N-BIS[DAUNOMYCIN]A1AL90.9
BDA4-METHYLBENZYL-N-BIS[DAUNOMYCIN]A1AGL0.9
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		A2O7O0.73
DM5IDARUBICINA,B,D198D0.88
DM5IDARUBICINA1D380.88
DM5IDARUBICINA1D670.88
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		A2E140.7
DM36-DEOXYDAUNOMYCINA1D140.9
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
TACTETRACYCLINEA,B,C,D,E,F,
G,H,I,J,K,L		2HDN0.7
TACTETRACYCLINEA2VKE0.7
TACTETRACYCLINEA2TRT0.7
TACTETRACYCLINEB2UXO0.7
TACTETRACYCLINEA,B,D,E,G,H,
J,K,L,N,P,Q,
R,T		1I970.7
TACTETRACYCLINEA,D,H,N1HNW0.7
TACTETRACYCLINEA,B2HCJ0.7
AKT10-DECARBOXYMETHYLACLACINOMYCIN T (DCMAT)A1Q0R0.94
CCICALICHEAMICIN GAMMA-1-IB1QMS0.71
NGVMETHYL 5,7-DIHYDROXY-2-METHYL-4,6,11-
TRIOXO-3,4,6,11-TETRAHYDROTETRACENE-
1-CARBOXYLATE		A,B,C,D2F980.7
NGVMETHYL 5,7-DIHYDROXY-2-METHYL-4,6,11-
TRIOXO-3,4,6,11-TETRAHYDROTETRACENE-
1-CARBOXYLATE		A1SJW0.7
B8L3-[(3-SEC-BUTYL-4-HYDROXYBENZOYL)AMINO]AZEPAN-
4-YL 4-(2-HYDROXY-5-METHOXYBENZOYL)BENZOATE		A1REK0.73
L41{4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenoxy}acetic acidA,B3D5F0.7
MNGMENOGARILA,B202D0.93
BA1BALANOLA1BX60.71
CM3(2R,3R,4S)-5-FLUORO-3-(4-HYDROXYPHENYL)-
4-METHYL-2-[4-(2-PIPERIDIN-1-YLETHOXY)PHENYL]CHROMAN-
6-OL		A1YIN0.71
AAY8-[2-((2S)-4-HYDROXY-1-{[5-(HYDROXYMETHYL)-
6-METHOXY-2-NAPHTHYL]METHYL}-6-
OXOPIPERIDIN-2-YL)ETHYL]-3,7-DIMETHYL-
1,2,3,7,8,8A-HEXAHYDRONAPHTHALEN-
1-YL 2-METHYLBUTANOATE		A,B1XDD0.73
AKV{3-[(1R,3S)-1,3-DIHYDROXYPENTYL]-
4,5,9,10-TETRAHYDROXY-2-ANTHRYL}ACETATE		A,B,C,D2F990.74
BNRBIS-DAUNORUBICINB1AMD0.87
AP1{3-[3-(3,4-DIMETHOXY-PHENYL)-1-
(1-{1-[2-(3,4,5-TRIMETHOXY-PHENYL)-
BUTYRYL]-PIPERIDIN-2YL}-VINYLOXY)-
PROPYL]-PHENOXY}-ACETIC ACID		A,B1BL40.72
DRA11-DEOXY-BETA-RHODOMYCINA,B1XDS0.93
DMM3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)-
DOXORUBICIN		A215D0.98
DMM3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)-
DOXORUBICIN		A235D0.98
DMM3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)-
DOXORUBICIN		A234D0.98
DMM3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)-
DOXORUBICIN		A,B2DES0.98
NLX(5A,17R)-4,5-EPOXY-3,14-DIHYDROXY-
17-METHYL-6-OXO-17-(2-PROPENYL)-
MORPHINANIUM		A,B,C,D,E,F,
G,H,I,J,K,L		1MX90.72
NGUU-58872, HYDROXY DERIVATIVE OF NOGALAMYCINA,B1D220.92
NODN-ETHYLHYDROXY-DOXORUBICINA385D0.93
CPB2-(2-CHLORO-PHENYL)-5,7-DIHYDROXY-
8-(3-HYDROXY-1-METHYL-PIPERIDIN-
4-YL)-4H-BENZOPYRAN-4-ONE		A1E1Y0.75
CPB2-(2-CHLORO-PHENYL)-5,7-DIHYDROXY-
8-(3-HYDROXY-1-METHYL-PIPERIDIN-
4-YL)-4H-BENZOPYRAN-4-ONE		A,B3BLR0.75
CPB2-(2-CHLORO-PHENYL)-5,7-DIHYDROXY-
8-(3-HYDROXY-1-METHYL-PIPERIDIN-
4-YL)-4H-BENZOPYRAN-4-ONE		A1C8K0.75
STGESTRIOL 3-(B-D-GLUCURONIDE)H2BFV0.71
STGESTRIOL 3-(B-D-GLUCURONIDE)H,L1BFV0.71
SMASTIGMATELLIN AA,C,D,E,N,P,
Q,R		3H1I0.7
SMASTIGMATELLIN AA,B,C,D,E,F,
G,O,P,Q,R,S,T		1PPJ0.7
SMASTIGMATELLIN AA,C,D,E,L,N,
O,P,W		3CXH0.7
SMASTIGMATELLIN AC,D,E,P,Q,R1ZRT0.7
SMASTIGMATELLIN AC,H,L,M2JBL0.7
SMASTIGMATELLIN AA,B,C,D,E,F,
G,I,N,O,P,Q,
R,S,T,U,V,W		2A060.7
SMASTIGMATELLIN AA,B,C,D,E,F,
G,H,I,J,K,L		2QJP0.7
SMASTIGMATELLIN AA,C,D,E1KB90.7
SMASTIGMATELLIN AA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R		2QJK0.7
SMASTIGMATELLIN AA,B,C,D,E,F,
G,N,O,P,Q,R,
S,T		1PP90.7
SMASTIGMATELLIN AC,D,E2IBZ0.7
SMASTIGMATELLIN AA,C,D,E,L,N,
O,P,W		3CX50.7
SMASTIGMATELLIN AA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R		2FYN0.7
SMASTIGMATELLIN AA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R		2QJY0.7
SMASTIGMATELLIN AC,D,E1EZV0.7
SMASTIGMATELLIN AC,D,E,N,O,P,W1KYO0.7
SMASTIGMATELLIN AA,C,D,E,G,N,
P,Q,R,S		3H1J0.7
SMASTIGMATELLIN AC,D,E1SQX0.7
AI1N-BENZYL-3-(ALPHA-D-GALACTOS-1-
YL)-BENZAMIDE		D,E,F,G,H,L,
M,N,O,P		1FD70.72
GGTTrioxacarcin AA,B3C2J0.77
AKYA,B,C,D2IPI0.91
HEHHEDAMYCINA1JHI0.83
NCGA1MP70.74
DZNDAIDZINA,B,C,D,E,F,
G,H		2VLE0.77
DH2(2S,3S)-2-(3,4-DIHYDROXYPHENYL)-
3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H-
CHROMEN-4-ONE		A1GP50.7
DH2(2S,3S)-2-(3,4-DIHYDROXYPHENYL)-
3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H-
CHROMEN-4-ONE		A1GP60.7
DM74'-DEOXY-4'-IODODOXORUBICINA1IMR0.87
DM74'-DEOXY-4'-IODODOXORUBICINA1IMS0.87
CCGCALICHEAMICIN GAMMA-1A2GKC0.7
MAR4'-EPI-4'-(2-DEOXYFUCOSE)DAUNOMYCINA1D360.92
MAR4'-EPI-4'-(2-DEOXYFUCOSE)DAUNOMYCINA1R680.92
MAR4'-EPI-4'-(2-DEOXYFUCOSE)DAUNOMYCINA1D350.92
DM9N-HYDROXYMETHYL-N-(2-METHOXYETHYL)-
DAUNOMYCIN		A482D0.89
NCSB1KVH0.78
NCSA2NEO0.78
7CA5,7-DIHYDROXY-2-(4-METHOXYPHENYL)-
8-(3-METHYLBUTYL)-4-OXO-4H-CHROMEN-
3-YL 6-DEOXY-ALPHA-L-MANNOPYRANOSIDE		A2H440.76
DM2DOXORUBICINA2DR60.91
DM2DOXORUBICINA1P200.91
DM2DOXORUBICINA1I1E0.91
DM2DOXORUBICINA151D0.91
DM2DOXORUBICINA1D120.91
DM2DOXORUBICINA1DA90.91
DM64'-EPIDOXORUBICINA1D150.91
DM64'-EPIDOXORUBICINA1D540.91
DM64'-EPIDOXORUBICINA1D580.91
DM64'-EPIDOXORUBICINA1QDA0.91
TBH5-(2-{2-[(TERT-BUTOXY-HYDROXY-METHYL)-
AMINO]-1-HYDROXY-3-PHENYL-PROPYLAMINO}-
3-HYDROXY-3-PENTYLAMINO-PROPYL)-
2-CARBOXYMETHOXY-BENZOIC ACID		B1JF70.74
AKA10-DECARBOXYMETHYLACLACINOMYCIN A (DCMAA)A1Q0Z0.93
ZCTA,B,C,D,E,F,
G,H		3B6A0.71
CHRNEOCARZINOSTATIN-CHROMOPHOREA1O5P0.81
CHRNEOCARZINOSTATIN-CHROMOPHOREA,B1NCO0.81
S2AA2OEY0.79
RUTRUTINA,B1RY80.75
DM41-O-DEMETHYL-6-DEOXYDOXORUBICINA1D370.88
NGMNOGALAMYCINA,B,C,D258D0.92
NGMNOGALAMYCINA282D0.92
NGMNOGALAMYCINA,B224D0.92
NGMNOGALAMYCINA,B245D0.92
NGMNOGALAMYCINA,B1QCH0.92
NGMNOGALAMYCINA1D170.92
NGMNOGALAMYCINA,B1D210.92
NGMNOGALAMYCINA,B182D0.92
DM1DAUNOMYCINA152D0.91
DM1DAUNOMYCINA,B,C,D1O0K0.91
DM1DAUNOMYCINA1JO20.91
DM1DAUNOMYCINA,B308D0.91
DM1DAUNOMYCINA1D330.91
DM1DAUNOMYCINA110D0.91
DM1DAUNOMYCINA1D110.91
DM1DAUNOMYCINA427D0.91
DM1DAUNOMYCINA2D340.91
DM1DAUNOMYCINA3F8F0.91
DM1DAUNOMYCINA1D100.91
DM1DAUNOMYCINA1DA00.91
DM82'-BROMO-4'-EPIDAUNORUBICINA276D0.88
DM82'-BROMO-4'-EPIDAUNORUBICINA288D0.88
DM82'-BROMO-4'-EPIDAUNORUBICINA277D0.88
DM82'-BROMO-4'-EPIDAUNORUBICINA,B380D0.88
DM82'-BROMO-4'-EPIDAUNORUBICINA,B381D0.88
DM82'-BROMO-4'-EPIDAUNORUBICINA278D0.88
NOVNOVOBIOCINA,B1KIJ0.73
NOVNOVOBIOCINA,B1S140.73
NOVNOVOBIOCINA1AJ60.73
E3GESTRONE BETA-D-GLUCURONIDEH,L1CFV0.71
2HI(2S,3R)-2,7-DIHYDROXY-3-(4-HYDROXYPHENYL)-
2,3-DIHYDRO-4H-CHROMEN-4-ONE		A1ZG30.72
CMD3'-DESAMINO-3'-(3-CYANO-4-MORPHOLINYL)-
DOXORUBICIN		A236D0.96
DQH(2R,3R)-2-(3,4-DIHYDROXYPHENYL)-
3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H-
CHROMEN-4-ONE		A1GP50.7
DQH(2R,3R)-2-(3,4-DIHYDROXYPHENYL)-
3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H-
CHROMEN-4-ONE		D,F2C290.7