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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02459189

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
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
SHP(4-HYDROXYMALTOSEPHENYL)GLYCINEA1DSR0.71
DMM3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)-
DOXORUBICIN		A215D0.92
DMM3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)-
DOXORUBICIN		A235D0.92
DMM3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)-
DOXORUBICIN		A234D0.92
DMM3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)-
DOXORUBICIN		A,B2DES0.92
DM74'-DEOXY-4'-IODODOXORUBICINA1IMR0.95
DM74'-DEOXY-4'-IODODOXORUBICINA1IMS0.95
TDC5A,6-ANHYDROTETRACYCLINEA2VKV0.7
TDC5A,6-ANHYDROTETRACYCLINEA2VPR0.7
DM41-O-DEMETHYL-6-DEOXYDOXORUBICINA1D370.96
L41{4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenoxy}acetic acidA,B3D5F0.73
NGUU-58872, HYDROXY DERIVATIVE OF NOGALAMYCINA,B1D220.86
DM82'-BROMO-4'-EPIDAUNORUBICINA276D0.96
DM82'-BROMO-4'-EPIDAUNORUBICINA288D0.96
DM82'-BROMO-4'-EPIDAUNORUBICINA277D0.96
DM82'-BROMO-4'-EPIDAUNORUBICINA,B380D0.96
DM82'-BROMO-4'-EPIDAUNORUBICINA,B381D0.96
DM82'-BROMO-4'-EPIDAUNORUBICINA278D0.96
DM1DAUNOMYCINA152D0.99
DM1DAUNOMYCINA,B,C,D1O0K0.99
DM1DAUNOMYCINA1JO20.99
DM1DAUNOMYCINA,B308D0.99
DM1DAUNOMYCINA1D330.99
DM1DAUNOMYCINA110D0.99
DM1DAUNOMYCINA1D110.99
DM1DAUNOMYCINA427D0.99
DM1DAUNOMYCINA2D340.99
DM1DAUNOMYCINA3F8F0.99
DM1DAUNOMYCINA1D100.99
DM1DAUNOMYCINA1DA00.99
E3GESTRONE BETA-D-GLUCURONIDEH,L1CFV0.75
B8L3-[(3-SEC-BUTYL-4-HYDROXYBENZOYL)AMINO]AZEPAN-
4-YL 4-(2-HYDROXY-5-METHOXYBENZOYL)BENZOATE		A1REK0.72
BDA4-METHYLBENZYL-N-BIS[DAUNOMYCIN]A1AL90.9
BDA4-METHYLBENZYL-N-BIS[DAUNOMYCIN]A1AGL0.9
NCZ2-HYDROXY-7-METHOXY-5-METHYL-NAPHTHALENE-
1-CARBOXYLIC ACID MESO-2,5-DIHYDROXY-
CYCLOPENT-3-ENYL ESTER		A1J5I0.75
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
DM64'-EPIDOXORUBICINA1D150.99
DM64'-EPIDOXORUBICINA1D540.99
DM64'-EPIDOXORUBICINA1D580.99
DM64'-EPIDOXORUBICINA1QDA0.99
DM2DOXORUBICINA2DR60.99
DM2DOXORUBICINA1P200.99
DM2DOXORUBICINA1I1E0.99
DM2DOXORUBICINA151D0.99
DM2DOXORUBICINA1D120.99
DM2DOXORUBICINA1DA90.99
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
CPB2-(2-CHLORO-PHENYL)-5,7-DIHYDROXY-
8-(3-HYDROXY-1-METHYL-PIPERIDIN-
4-YL)-4H-BENZOPYRAN-4-ONE		A1E1Y0.7
CPB2-(2-CHLORO-PHENYL)-5,7-DIHYDROXY-
8-(3-HYDROXY-1-METHYL-PIPERIDIN-
4-YL)-4H-BENZOPYRAN-4-ONE		A,B3BLR0.7
CPB2-(2-CHLORO-PHENYL)-5,7-DIHYDROXY-
8-(3-HYDROXY-1-METHYL-PIPERIDIN-
4-YL)-4H-BENZOPYRAN-4-ONE		A1C8K0.7
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,B1TW20.93
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,B1TW30.93
AI1N-BENZYL-3-(ALPHA-D-GALACTOS-1-
YL)-BENZAMIDE		D,E,F,G,H,L,
M,N,O,P		1FD70.71
CMD3'-DESAMINO-3'-(3-CYANO-4-MORPHOLINYL)-
DOXORUBICIN		A236D0.9
ERD(2S)-2-(3,4-DIHYDROXYPHENYL)-5,7-
DIHYDROXY-2,3-DIHYDRO-4H-CHROMEN-
4-ONE		D,F2NNL0.71
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		A2E140.74
1137,8-DIHYDROXY-1-METHOXY-3-METHYL-
10-OXO-4,10-DIHYDRO-1H,3H-PYRANO[4,3-
B]CHROMENE-9-CARBOXYLIC ACID		A,B1KR30.73
1137,8-DIHYDROXY-1-METHOXY-3-METHYL-
10-OXO-4,10-DIHYDRO-1H,3H-PYRANO[4,3-
B]CHROMENE-9-CARBOXYLIC ACID		A,B1HLK0.73
DRA11-DEOXY-BETA-RHODOMYCINA,B1XDS0.89
BA1BALANOLA1BX60.71
AKV{3-[(1R,3S)-1,3-DIHYDROXYPENTYL]-
4,5,9,10-TETRAHYDROXY-2-ANTHRYL}ACETATE		A,B,C,D2F990.75
DXA1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1-
METHOXY-2-OXY-3,4-DIHYDROXYPENTYL)-
8,9-DIHYDROXY-7-(SEC-BUTYL)-ANTHRACENE		A,B1CP80.73
AKT10-DECARBOXYMETHYLACLACINOMYCIN T (DCMAT)A1Q0R0.9
DDIA1R4E0.73
DDIA1P960.73
BNRBIS-DAUNORUBICINB1AMD0.87
NODN-ETHYLHYDROXY-DOXORUBICINA385D0.96
DXB1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1-
METHOXY-2-OXY-3,4-DIHYDROXYPENTYL)-
8,9-DIHYDROXY-7-METHYL-ANTHRACENE		A,B1BP80.73
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,B3C9W0.75
INX2-(CARBOXYMETHOXY)-5-[(2S)-2-({(2S)-
2-[(3-CARBOXYPROPANOYL)AMINO] -
3-PHENYLPROPANOYL}AMINO)-3-OXO-
3-(PENTYLAMINO)PROPYL]BENZOIC ACID		A1G7G0.71
NOVNOVOBIOCINA,B1KIJ0.72
NOVNOVOBIOCINA,B1S140.72
NOVNOVOBIOCINA1AJ60.72
NGMNOGALAMYCINA,B,C,D258D0.86
NGMNOGALAMYCINA282D0.86
NGMNOGALAMYCINA,B224D0.86
NGMNOGALAMYCINA,B245D0.86
NGMNOGALAMYCINA,B1QCH0.86
NGMNOGALAMYCINA1D170.86
NGMNOGALAMYCINA,B1D210.86
NGMNOGALAMYCINA,B182D0.86
TXLTAXOTEREA,B,K1IA00.7
TXLTAXOTEREA,B1TUB0.7
CHRNEOCARZINOSTATIN-CHROMOPHOREA1O5P0.8
CHRNEOCARZINOSTATIN-CHROMOPHOREA,B1NCO0.8
DZNDAIDZINA,B,C,D,E,F,
G,H		2VLE0.78
NCGA1MP70.73
NCSB1KVH0.78
NCSA2NEO0.78
RUTRUTINA,B1RY80.77
CRH1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1-
METHOXY-2-OXY-3,4-DIHYDROXYPENTYL)-
8,9-DIHYROXY-7-METHYLANTHRACENE		A,B146D0.73
CRH1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1-
METHOXY-2-OXY-3,4-DIHYDROXYPENTYL)-
8,9-DIHYROXY-7-METHYLANTHRACENE		A,B207D0.73
QSO5,7-dihydroxy-3-(4-methoxyphenyl)-
4H-chromen-4-one		A,B2QYO0.7
MNGMENOGARILA,B202D0.87
DQH(2R,3R)-2-(3,4-DIHYDROXYPHENYL)-
3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H-
CHROMEN-4-ONE		A1GP50.73
DQH(2R,3R)-2-(3,4-DIHYDROXYPHENYL)-
3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H-
CHROMEN-4-ONE		D,F2C290.73
GGTTrioxacarcin AA,B3C2J0.78
STGESTRIOL 3-(B-D-GLUCURONIDE)H2BFV0.75
STGESTRIOL 3-(B-D-GLUCURONIDE)H,L1BFV0.75
2HI(2S,3R)-2,7-DIHYDROXY-3-(4-HYDROXYPHENYL)-
2,3-DIHYDRO-4H-CHROMEN-4-ONE		A1ZG30.74
SMASTIGMATELLIN AA,C,D,E,N,P,
Q,R		3H1I0.72
SMASTIGMATELLIN AA,B,C,D,E,F,
G,O,P,Q,R,S,T		1PPJ0.72
SMASTIGMATELLIN AA,C,D,E,L,N,
O,P,W		3CXH0.72
SMASTIGMATELLIN AC,D,E,P,Q,R1ZRT0.72
SMASTIGMATELLIN AC,H,L,M2JBL0.72
SMASTIGMATELLIN AA,B,C,D,E,F,
G,I,N,O,P,Q,
R,S,T,U,V,W		2A060.72
SMASTIGMATELLIN AA,B,C,D,E,F,
G,H,I,J,K,L		2QJP0.72
SMASTIGMATELLIN AA,C,D,E1KB90.72
SMASTIGMATELLIN AA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R		2QJK0.72
SMASTIGMATELLIN AA,B,C,D,E,F,
G,N,O,P,Q,R,
S,T		1PP90.72
SMASTIGMATELLIN AC,D,E2IBZ0.72
SMASTIGMATELLIN AA,C,D,E,L,N,
O,P,W		3CX50.72
SMASTIGMATELLIN AA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R		2FYN0.72
SMASTIGMATELLIN AA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R		2QJY0.72
SMASTIGMATELLIN AC,D,E1EZV0.72
SMASTIGMATELLIN AC,D,E,N,O,P,W1KYO0.72
SMASTIGMATELLIN AA,C,D,E,G,N,
P,Q,R,S		3H1J0.72
SMASTIGMATELLIN AC,D,E1SQX0.72
CCICALICHEAMICIN GAMMA-1-IB1QMS0.7
CPH1,8-DIHYDROXY-7-METHYL-3-(1,3,4-
TRIHYDROXY-2-OXO-PENTYL)-3,10-DIHYDRO-
2H-ANTHRACEN-9-ONE		A,B1D830.7
CPH1,8-DIHYDROXY-7-METHYL-3-(1,3,4-
TRIHYDROXY-2-OXO-PENTYL)-3,10-DIHYDRO-
2H-ANTHRACEN-9-ONE		A,B1EKH0.7
CPH1,8-DIHYDROXY-7-METHYL-3-(1,3,4-
TRIHYDROXY-2-OXO-PENTYL)-3,10-DIHYDRO-
2H-ANTHRACEN-9-ONE		A,B1EKI0.7
CPH1,8-DIHYDROXY-7-METHYL-3-(1,3,4-
TRIHYDROXY-2-OXO-PENTYL)-3,10-DIHYDRO-
2H-ANTHRACEN-9-ONE		A,B,C,D1VAQ0.7
MYU3,5,6,7-TETRAHYDROXY-2-(3,4-DIHYDROXYPHENYL)-
4H-CHROMEN-4-ONE		A2O640.7
9412-(4-{2-TERT-BUTOXYCARBONYLAMINO-
2-[4-(3-HYDROXY-2-METHOXYCARBONYL-
PHENOXY)-BUTYLCARBAMOYL]-ETHYL}-
PHENOXY)-MALONIC ACID		A1PYN0.7
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,B1NAB0.95
DM5IDARUBICINA,B,D198D0.96
DM5IDARUBICINA1D380.96
DM5IDARUBICINA1D670.96
NGPNOGALAMYCIN (PROTONATED FORM)A1L0R0.85
SIGSTIGMATELLINC,D,E2BCC0.72
SIGSTIGMATELLINC,D,E3BCC0.72
DH2(2S,3S)-2-(3,4-DIHYDROXYPHENYL)-
3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H-
CHROMEN-4-ONE		A1GP50.73
DH2(2S,3S)-2-(3,4-DIHYDROXYPHENYL)-
3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H-
CHROMEN-4-ONE		A1GP60.73
ZCTA,B,C,D,E,F,
G,H		3B6A0.71
S2AA2OEY0.79
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
7CA5,7-DIHYDROXY-2-(4-METHOXYPHENYL)-
8-(3-METHYLBUTYL)-4-OXO-4H-CHROMEN-
3-YL 6-DEOXY-ALPHA-L-MANNOPYRANOSIDE		A2H440.81
HMO4'-HYDROXY-7-METHOXYISOFLAVONEA1FP20.7
MAR4'-EPI-4'-(2-DEOXYFUCOSE)DAUNOMYCINA1D360.98
MAR4'-EPI-4'-(2-DEOXYFUCOSE)DAUNOMYCINA1R680.98
MAR4'-EPI-4'-(2-DEOXYFUCOSE)DAUNOMYCINA1D350.98
AKA10-DECARBOXYMETHYLACLACINOMYCIN A (DCMAA)A1Q0Z0.89
SAK(2S)-5-hydroxy-2-(4-hydroxyphenyl)-
7-methoxy-2,3-dihydro-4H-chromen-
4-one		A,B,C,D,E,F3D040.7
HEHHEDAMYCINA1JHI0.81
DM9N-HYDROXYMETHYL-N-(2-METHOXYETHYL)-
DAUNOMYCIN		A482D0.86
AKYA,B,C,D2IPI0.89
DM36-DEOXYDAUNOMYCINA1D140.98
TBH5-(2-{2-[(TERT-BUTOXY-HYDROXY-METHYL)-
AMINO]-1-HYDROXY-3-PHENYL-PROPYLAMINO}-
3-HYDROXY-3-PENTYLAMINO-PROPYL)-
2-CARBOXYMETHOXY-BENZOIC ACID		B1JF70.75