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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02487705

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
AKA10-DECARBOXYMETHYLACLACINOMYCIN A (DCMAA)A1Q0Z0.94
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		1MX90.73
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
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		A2E140.72
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,B1BL40.73
RUTRUTINA,B1RY80.76
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
NODN-ETHYLHYDROXY-DOXORUBICINA385D0.95
DM41-O-DEMETHYL-6-DEOXYDOXORUBICINA1D370.89
DZNDAIDZINA,B,C,D,E,F,
G,H		2VLE0.76
DM9N-HYDROXYMETHYL-N-(2-METHOXYETHYL)-
DAUNOMYCIN		A482D0.9
B8L3-[(3-SEC-BUTYL-4-HYDROXYBENZOYL)AMINO]AZEPAN-
4-YL 4-(2-HYDROXY-5-METHOXYBENZOYL)BENZOATE		A1REK0.72
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
NGUU-58872, HYDROXY DERIVATIVE OF NOGALAMYCINA,B1D220.91
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,B1XDD0.72
NCZ2-HYDROXY-7-METHOXY-5-METHYL-NAPHTHALENE-
1-CARBOXYLIC ACID MESO-2,5-DIHYDROXY-
CYCLOPENT-3-ENYL ESTER		A1J5I0.73
CCICALICHEAMICIN GAMMA-1-IB1QMS0.71
AI1N-BENZYL-3-(ALPHA-D-GALACTOS-1-
YL)-BENZAMIDE		D,E,F,G,H,L,
M,N,O,P		1FD70.71
CPB2-(2-CHLORO-PHENYL)-5,7-DIHYDROXY-
8-(3-HYDROXY-1-METHYL-PIPERIDIN-
4-YL)-4H-BENZOPYRAN-4-ONE		A1E1Y0.74
CPB2-(2-CHLORO-PHENYL)-5,7-DIHYDROXY-
8-(3-HYDROXY-1-METHYL-PIPERIDIN-
4-YL)-4H-BENZOPYRAN-4-ONE		A,B3BLR0.74
CPB2-(2-CHLORO-PHENYL)-5,7-DIHYDROXY-
8-(3-HYDROXY-1-METHYL-PIPERIDIN-
4-YL)-4H-BENZOPYRAN-4-ONE		A1C8K0.74
7CA5,7-DIHYDROXY-2-(4-METHOXYPHENYL)-
8-(3-METHYLBUTYL)-4-OXO-4H-CHROMEN-
3-YL 6-DEOXY-ALPHA-L-MANNOPYRANOSIDE		A2H440.78
AKV{3-[(1R,3S)-1,3-DIHYDROXYPENTYL]-
4,5,9,10-TETRAHYDROXY-2-ANTHRYL}ACETATE		A,B,C,D2F990.73
BA1BALANOLA1BX60.71
2HI(2S,3R)-2,7-DIHYDROXY-3-(4-HYDROXYPHENYL)-
2,3-DIHYDRO-4H-CHROMEN-4-ONE		A1ZG30.71
ZCTA,B,C,D,E,F,
G,H		3B6A0.7
MNGMENOGARILA,B202D0.92
E3GESTRONE BETA-D-GLUCURONIDEH,L1CFV0.72
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,B3C9W0.73
BNRBIS-DAUNORUBICINB1AMD0.88
L41{4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenoxy}acetic acidA,B3D5F0.72
S2AA2OEY0.78
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
DM2DOXORUBICINA2DR60.92
DM2DOXORUBICINA1P200.92
DM2DOXORUBICINA1I1E0.92
DM2DOXORUBICINA151D0.92
DM2DOXORUBICINA1D120.92
DM2DOXORUBICINA1DA90.92
DM64'-EPIDOXORUBICINA1D150.92
DM64'-EPIDOXORUBICINA1D540.92
DM64'-EPIDOXORUBICINA1D580.92
DM64'-EPIDOXORUBICINA1QDA0.92
NCGA1MP70.74
HEHHEDAMYCINA1JHI0.82
NGPNOGALAMYCIN (PROTONATED FORM)A1L0R0.86
NCSB1KVH0.77
NCSA2NEO0.77
TDC5A,6-ANHYDROTETRACYCLINEA2VKV0.71
TDC5A,6-ANHYDROTETRACYCLINEA2VPR0.71
DM74'-DEOXY-4'-IODODOXORUBICINA1IMR0.88
DM74'-DEOXY-4'-IODODOXORUBICINA1IMS0.88
CMD3'-DESAMINO-3'-(3-CYANO-4-MORPHOLINYL)-
DOXORUBICIN		A236D0.97
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
CHRNEOCARZINOSTATIN-CHROMOPHOREA1O5P0.8
CHRNEOCARZINOSTATIN-CHROMOPHOREA,B1NCO0.8
DMM3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)-
DOXORUBICIN		A215D0.99
DMM3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)-
DOXORUBICIN		A235D0.99
DMM3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)-
DOXORUBICIN		A234D0.99
DMM3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)-
DOXORUBICIN		A,B2DES0.99
NGMNOGALAMYCINA,B,C,D258D0.91
NGMNOGALAMYCINA282D0.91
NGMNOGALAMYCINA,B224D0.91
NGMNOGALAMYCINA,B245D0.91
NGMNOGALAMYCINA,B1QCH0.91
NGMNOGALAMYCINA1D170.91
NGMNOGALAMYCINA,B1D210.91
NGMNOGALAMYCINA,B182D0.91
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
DRA11-DEOXY-BETA-RHODOMYCINA,B1XDS0.94
GGTTrioxacarcin AA,B3C2J0.78
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		A1LF30.7
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
MAR4'-EPI-4'-(2-DEOXYFUCOSE)DAUNOMYCINA1D360.93
MAR4'-EPI-4'-(2-DEOXYFUCOSE)DAUNOMYCINA1R680.93
MAR4'-EPI-4'-(2-DEOXYFUCOSE)DAUNOMYCINA1D350.93
DM36-DEOXYDAUNOMYCINA1D140.91
STGESTRIOL 3-(B-D-GLUCURONIDE)H2BFV0.72
STGESTRIOL 3-(B-D-GLUCURONIDE)H,L1BFV0.72
AKYA,B,C,D2IPI0.92
BDA4-METHYLBENZYL-N-BIS[DAUNOMYCIN]A1AL90.91
BDA4-METHYLBENZYL-N-BIS[DAUNOMYCIN]A1AGL0.91
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
CM3(2R,3R,4S)-5-FLUORO-3-(4-HYDROXYPHENYL)-
4-METHYL-2-[4-(2-PIPERIDIN-1-YLETHOXY)PHENYL]CHROMAN-
6-OL		A1YIN0.7
NOVNOVOBIOCINA,B1KIJ0.73
NOVNOVOBIOCINA,B1S140.73
NOVNOVOBIOCINA1AJ60.73
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
AKT10-DECARBOXYMETHYLACLACINOMYCIN T (DCMAT)A1Q0R0.93
DM5IDARUBICINA,B,D198D0.89
DM5IDARUBICINA1D380.89
DM5IDARUBICINA1D670.89
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
TBH5-(2-{2-[(TERT-BUTOXY-HYDROXY-METHYL)-
AMINO]-1-HYDROXY-3-PHENYL-PROPYLAMINO}-
3-HYDROXY-3-PENTYLAMINO-PROPYL)-
2-CARBOXYMETHOXY-BENZOIC ACID		B1JF70.75
INX2-(CARBOXYMETHOXY)-5-[(2S)-2-({(2S)-
2-[(3-CARBOXYPROPANOYL)AMINO] -
3-PHENYLPROPANOYL}AMINO)-3-OXO-
3-(PENTYLAMINO)PROPYL]BENZOIC ACID		A1G7G0.7