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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02477309

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
L41{4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenoxy}acetic acidA,B3D5F0.75
DZNDAIDZINA,B,C,D,E,F,
G,H		2VLE0.79
DDIA1R4E0.72
DDIA1P960.72
GGTTrioxacarcin AA,B3C2J0.79
DXB1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1-
METHOXY-2-OXY-3,4-DIHYDROXYPENTYL)-
8,9-DIHYDROXY-7-METHYL-ANTHRACENE		A,B1BP80.72
NGMNOGALAMYCINA,B,C,D258D0.87
NGMNOGALAMYCINA282D0.87
NGMNOGALAMYCINA,B224D0.87
NGMNOGALAMYCINA,B245D0.87
NGMNOGALAMYCINA,B1QCH0.87
NGMNOGALAMYCINA1D170.87
NGMNOGALAMYCINA,B1D210.87
NGMNOGALAMYCINA,B182D0.87
NCZ2-HYDROXY-7-METHOXY-5-METHYL-NAPHTHALENE-
1-CARBOXYLIC ACID MESO-2,5-DIHYDROXY-
CYCLOPENT-3-ENYL ESTER		A1J5I0.74
NODN-ETHYLHYDROXY-DOXORUBICINA385D0.95
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,B1TW20.92
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,B1TW30.92
AKA10-DECARBOXYMETHYLACLACINOMYCIN A (DCMAA)A1Q0Z0.88
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
DFV7-HYDROXY-2-(4-HYDROXY-PHENYL)-
CHROMAN-4-ONE		B,C1JX10.71
DFV7-HYDROXY-2-(4-HYDROXY-PHENYL)-
CHROMAN-4-ONE		A,B1JX00.71
DFV7-HYDROXY-2-(4-HYDROXY-PHENYL)-
CHROMAN-4-ONE		A,B1FM70.71
FLQN-[6-(ACETYLAMINO)HEXYL]-3',6'-
DIHYDROXY-3-OXO-3H-SPIRO[2-BENZOFURAN-
1,9'-XANTHENE]-6-CARBOXAMIDE		C2FDC0.7
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
TBH5-(2-{2-[(TERT-BUTOXY-HYDROXY-METHYL)-
AMINO]-1-HYDROXY-3-PHENYL-PROPYLAMINO}-
3-HYDROXY-3-PENTYLAMINO-PROPYL)-
2-CARBOXYMETHOXY-BENZOIC ACID		B1JF70.76
CCICALICHEAMICIN GAMMA-1-IB1QMS0.71
AKYA,B,C,D2IPI0.88
DXA1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1-
METHOXY-2-OXY-3,4-DIHYDROXYPENTYL)-
8,9-DIHYDROXY-7-(SEC-BUTYL)-ANTHRACENE		A,B1CP80.72
9412-(4-{2-TERT-BUTOXYCARBONYLAMINO-
2-[4-(3-HYDROXY-2-METHOXYCARBONYL-
PHENOXY)-BUTYLCARBAMOYL]-ETHYL}-
PHENOXY)-MALONIC ACID		A1PYN0.71
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
AKV{3-[(1R,3S)-1,3-DIHYDROXYPENTYL]-
4,5,9,10-TETRAHYDROXY-2-ANTHRYL}ACETATE		A,B,C,D2F990.75
DMM3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)-
DOXORUBICIN		A215D0.91
DMM3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)-
DOXORUBICIN		A235D0.91
DMM3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)-
DOXORUBICIN		A234D0.91
DMM3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)-
DOXORUBICIN		A,B2DES0.91
MUS4-METHYL-2-OXO-2H-CHROMEN-7-YL 5-
(ACETYLAMINO)-3,5-DIDEOXY-L-ERYTHRO-
NON-2-ULOPYRANOSIDONIC ACID		A1S0J0.7
1137,8-DIHYDROXY-1-METHOXY-3-METHYL-
10-OXO-4,10-DIHYDRO-1H,3H-PYRANO[4,3-
B]CHROMENE-9-CARBOXYLIC ACID		A,B1KR30.74
1137,8-DIHYDROXY-1-METHOXY-3-METHYL-
10-OXO-4,10-DIHYDRO-1H,3H-PYRANO[4,3-
B]CHROMENE-9-CARBOXYLIC ACID		A,B1HLK0.74
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		A2E140.73
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,B1NAB0.94
DM41-O-DEMETHYL-6-DEOXYDOXORUBICINA1D370.95
S2AA2OEY0.78
STGESTRIOL 3-(B-D-GLUCURONIDE)H2BFV0.76
STGESTRIOL 3-(B-D-GLUCURONIDE)H,L1BFV0.76
DDC7-HYDROXY-2-PHENYL-CHROMAN-4-ONEA,B1FM80.7
2HI(2S,3R)-2,7-DIHYDROXY-3-(4-HYDROXYPHENYL)-
2,3-DIHYDRO-4H-CHROMEN-4-ONE		A1ZG30.75
MYU3,5,6,7-TETRAHYDROXY-2-(3,4-DIHYDROXYPHENYL)-
4H-CHROMEN-4-ONE		A2O640.72
AI1N-BENZYL-3-(ALPHA-D-GALACTOS-1-
YL)-BENZAMIDE		D,E,F,G,H,L,
M,N,O,P		1FD70.72
DQH(2R,3R)-2-(3,4-DIHYDROXYPHENYL)-
3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H-
CHROMEN-4-ONE		A1GP50.74
DQH(2R,3R)-2-(3,4-DIHYDROXYPHENYL)-
3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H-
CHROMEN-4-ONE		D,F2C290.74
DRA11-DEOXY-BETA-RHODOMYCINA,B1XDS0.88
NGUU-58872, HYDROXY DERIVATIVE OF NOGALAMYCINA,B1D220.87
B8L3-[(3-SEC-BUTYL-4-HYDROXYBENZOYL)AMINO]AZEPAN-
4-YL 4-(2-HYDROXY-5-METHOXYBENZOYL)BENZOATE		A1REK0.71
HEHHEDAMYCINA1JHI0.82
NGPNOGALAMYCIN (PROTONATED FORM)A1L0R0.86
RUTRUTINA,B1RY80.78
CHRNEOCARZINOSTATIN-CHROMOPHOREA1O5P0.8
CHRNEOCARZINOSTATIN-CHROMOPHOREA,B1NCO0.8
MNGMENOGARILA,B202D0.88
SIGSTIGMATELLINC,D,E2BCC0.73
SIGSTIGMATELLINC,D,E3BCC0.73
DM9N-HYDROXYMETHYL-N-(2-METHOXYETHYL)-
DAUNOMYCIN		A482D0.85
NCSB1KVH0.78
NCSA2NEO0.78
BDA4-METHYLBENZYL-N-BIS[DAUNOMYCIN]A1AL90.89
BDA4-METHYLBENZYL-N-BIS[DAUNOMYCIN]A1AGL0.89
DM5IDARUBICINA,B,D198D0.95
DM5IDARUBICINA1D380.95
DM5IDARUBICINA1D670.95
DM74'-DEOXY-4'-IODODOXORUBICINA1IMR0.94
DM74'-DEOXY-4'-IODODOXORUBICINA1IMS0.94
NARNARINGENINA,B2UXU0.7
NARNARINGENINA2BRT0.7
NARNARINGENINA1CGK0.7
NARNARINGENINA,B1EYQ0.7
SHP(4-HYDROXYMALTOSEPHENYL)GLYCINEA1DSR0.72
CPB2-(2-CHLORO-PHENYL)-5,7-DIHYDROXY-
8-(3-HYDROXY-1-METHYL-PIPERIDIN-
4-YL)-4H-BENZOPYRAN-4-ONE		A1E1Y0.71
CPB2-(2-CHLORO-PHENYL)-5,7-DIHYDROXY-
8-(3-HYDROXY-1-METHYL-PIPERIDIN-
4-YL)-4H-BENZOPYRAN-4-ONE		A,B3BLR0.71
CPB2-(2-CHLORO-PHENYL)-5,7-DIHYDROXY-
8-(3-HYDROXY-1-METHYL-PIPERIDIN-
4-YL)-4H-BENZOPYRAN-4-ONE		A1C8K0.71
7CA5,7-DIHYDROXY-2-(4-METHOXYPHENYL)-
8-(3-METHYLBUTYL)-4-OXO-4H-CHROMEN-
3-YL 6-DEOXY-ALPHA-L-MANNOPYRANOSIDE		A2H440.82
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
MAR4'-EPI-4'-(2-DEOXYFUCOSE)DAUNOMYCINA1D360.97
MAR4'-EPI-4'-(2-DEOXYFUCOSE)DAUNOMYCINA1R680.97
MAR4'-EPI-4'-(2-DEOXYFUCOSE)DAUNOMYCINA1D350.97
CMD3'-DESAMINO-3'-(3-CYANO-4-MORPHOLINYL)-
DOXORUBICIN		A236D0.89
CRH1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1-
METHOXY-2-OXY-3,4-DIHYDROXYPENTYL)-
8,9-DIHYROXY-7-METHYLANTHRACENE		A,B146D0.72
CRH1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1-
METHOXY-2-OXY-3,4-DIHYDROXYPENTYL)-
8,9-DIHYROXY-7-METHYLANTHRACENE		A,B207D0.72
INX2-(CARBOXYMETHOXY)-5-[(2S)-2-({(2S)-
2-[(3-CARBOXYPROPANOYL)AMINO] -
3-PHENYLPROPANOYL}AMINO)-3-OXO-
3-(PENTYLAMINO)PROPYL]BENZOIC ACID		A1G7G0.72
NCGA1MP70.72
BA1BALANOLA1BX60.7
DM82'-BROMO-4'-EPIDAUNORUBICINA276D0.94
DM82'-BROMO-4'-EPIDAUNORUBICINA288D0.94
DM82'-BROMO-4'-EPIDAUNORUBICINA277D0.94
DM82'-BROMO-4'-EPIDAUNORUBICINA,B380D0.94
DM82'-BROMO-4'-EPIDAUNORUBICINA,B381D0.94
DM82'-BROMO-4'-EPIDAUNORUBICINA278D0.94
FSE3,7,3',4'-TETRAHYDROXYFLAVONEB1XO20.7
ZCTA,B,C,D,E,F,
G,H		3B6A0.71
DM1DAUNOMYCINA152D0.98
DM1DAUNOMYCINA,B,C,D1O0K0.98
DM1DAUNOMYCINA1JO20.98
DM1DAUNOMYCINA,B308D0.98
DM1DAUNOMYCINA1D330.98
DM1DAUNOMYCINA110D0.98
DM1DAUNOMYCINA1D110.98
DM1DAUNOMYCINA427D0.98
DM1DAUNOMYCINA2D340.98
DM1DAUNOMYCINA3F8F0.98
DM1DAUNOMYCINA1D100.98
DM1DAUNOMYCINA1DA00.98
SMASTIGMATELLIN AA,C,D,E,N,P,
Q,R		3H1I0.73
SMASTIGMATELLIN AA,B,C,D,E,F,
G,O,P,Q,R,S,T		1PPJ0.73
SMASTIGMATELLIN AA,C,D,E,L,N,
O,P,W		3CXH0.73
SMASTIGMATELLIN AC,D,E,P,Q,R1ZRT0.73
SMASTIGMATELLIN AC,H,L,M2JBL0.73
SMASTIGMATELLIN AA,B,C,D,E,F,
G,I,N,O,P,Q,
R,S,T,U,V,W		2A060.73
SMASTIGMATELLIN AA,B,C,D,E,F,
G,H,I,J,K,L		2QJP0.73
SMASTIGMATELLIN AA,C,D,E1KB90.73
SMASTIGMATELLIN AA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R		2QJK0.73
SMASTIGMATELLIN AA,B,C,D,E,F,
G,N,O,P,Q,R,
S,T		1PP90.73
SMASTIGMATELLIN AC,D,E2IBZ0.73
SMASTIGMATELLIN AA,C,D,E,L,N,
O,P,W		3CX50.73
SMASTIGMATELLIN AA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R		2FYN0.73
SMASTIGMATELLIN AA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R		2QJY0.73
SMASTIGMATELLIN AC,D,E1EZV0.73
SMASTIGMATELLIN AC,D,E,N,O,P,W1KYO0.73
SMASTIGMATELLIN AA,C,D,E,G,N,
P,Q,R,S		3H1J0.73
SMASTIGMATELLIN AC,D,E1SQX0.73
SAK(2S)-5-hydroxy-2-(4-hydroxyphenyl)-
7-methoxy-2,3-dihydro-4H-chromen-
4-one		A,B,C,D,E,F3D040.72
AKT10-DECARBOXYMETHYLACLACINOMYCIN T (DCMAT)A1Q0R0.89
TDS8-HYDROXY-5,7-DIMETHOXY-3-METHYL-
2-TRIDECYL-4H-CHROMEN-4-ONE		A,B,C,D,L,R1Q900.7
TDS8-HYDROXY-5,7-DIMETHOXY-3-METHYL-
2-TRIDECYL-4H-CHROMEN-4-ONE		A,B,C,D,G2E760.7
TDS8-HYDROXY-5,7-DIMETHOXY-3-METHYL-
2-TRIDECYL-4H-CHROMEN-4-ONE		A,B,C,D,E,N,
O,P,Q,R		1VF50.7
DM36-DEOXYDAUNOMYCINA1D140.97
DH2(2S,3S)-2-(3,4-DIHYDROXYPHENYL)-
3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H-
CHROMEN-4-ONE		A1GP50.74
DH2(2S,3S)-2-(3,4-DIHYDROXYPHENYL)-
3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H-
CHROMEN-4-ONE		A1GP60.74
E3GESTRONE BETA-D-GLUCURONIDEH,L1CFV0.76
NOVNOVOBIOCINA,B1KIJ0.73
NOVNOVOBIOCINA,B1S140.73
NOVNOVOBIOCINA1AJ60.73
ERD(2S)-2-(3,4-DIHYDROXYPHENYL)-5,7-
DIHYDROXY-2,3-DIHYDRO-4H-CHROMEN-
4-ONE		D,F2NNL0.72
BNRBIS-DAUNORUBICINB1AMD0.86
MGImethyl 4-(2,3-dihydroxy-5-methylphenoxy)-
2-hydroxy-6-methylbenzoate		A2ZA00.7
DM64'-EPIDOXORUBICINA1D150.98
DM64'-EPIDOXORUBICINA1D540.98
DM64'-EPIDOXORUBICINA1D580.98
DM64'-EPIDOXORUBICINA1QDA0.98
DM2DOXORUBICINA2DR60.98
DM2DOXORUBICINA1P200.98
DM2DOXORUBICINA1I1E0.98
DM2DOXORUBICINA151D0.98
DM2DOXORUBICINA1D120.98
DM2DOXORUBICINA1DA90.98