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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02497023

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
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
BNRBIS-DAUNORUBICINB1AMD0.82
CPB2-(2-CHLORO-PHENYL)-5,7-DIHYDROXY-
8-(3-HYDROXY-1-METHYL-PIPERIDIN-
4-YL)-4H-BENZOPYRAN-4-ONE		A1E1Y0.72
CPB2-(2-CHLORO-PHENYL)-5,7-DIHYDROXY-
8-(3-HYDROXY-1-METHYL-PIPERIDIN-
4-YL)-4H-BENZOPYRAN-4-ONE		A,B3BLR0.72
CPB2-(2-CHLORO-PHENYL)-5,7-DIHYDROXY-
8-(3-HYDROXY-1-METHYL-PIPERIDIN-
4-YL)-4H-BENZOPYRAN-4-ONE		A1C8K0.72
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
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
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
DZNDAIDZINA,B,C,D,E,F,
G,H		2VLE0.76
ZCTA,B,C,D,E,F,
G,H		3B6A0.74
NCZ2-HYDROXY-7-METHOXY-5-METHYL-NAPHTHALENE-
1-CARBOXYLIC ACID MESO-2,5-DIHYDROXY-
CYCLOPENT-3-ENYL ESTER		A1J5I0.75
NODN-ETHYLHYDROXY-DOXORUBICINA385D0.91
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
E3GESTRONE BETA-D-GLUCURONIDEH,L1CFV0.73
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,B1TW20.97
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,B1TW30.97
TDC5A,6-ANHYDROTETRACYCLINEA2VKV0.73
TDC5A,6-ANHYDROTETRACYCLINEA2VPR0.73
CMD3'-DESAMINO-3'-(3-CYANO-4-MORPHOLINYL)-
DOXORUBICIN		A236D0.9
L41{4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenoxy}acetic acidA,B3D5F0.7
S2AA2OEY0.77
MAR4'-EPI-4'-(2-DEOXYFUCOSE)DAUNOMYCINA1D360.88
MAR4'-EPI-4'-(2-DEOXYFUCOSE)DAUNOMYCINA1R680.88
MAR4'-EPI-4'-(2-DEOXYFUCOSE)DAUNOMYCINA1D350.88
NGMNOGALAMYCINA,B,C,D258D0.9
NGMNOGALAMYCINA282D0.9
NGMNOGALAMYCINA,B224D0.9
NGMNOGALAMYCINA,B245D0.9
NGMNOGALAMYCINA,B1QCH0.9
NGMNOGALAMYCINA1D170.9
NGMNOGALAMYCINA,B1D210.9
NGMNOGALAMYCINA,B182D0.9
DM41-O-DEMETHYL-6-DEOXYDOXORUBICINA1D370.91
DM74'-DEOXY-4'-IODODOXORUBICINA1IMR0.85
DM74'-DEOXY-4'-IODODOXORUBICINA1IMS0.85
OAL(1,8-DIHYDROXY-9,10-DIOXO-9,10-
DIHYDRO-ANTHRACEN-2-YL)-ACETIC ACID		B1N5T0.72
MNGMENOGARILA,B202D0.89
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
TACTETRACYCLINEA,B,C,D,E,F,
G,H,I,J,K,L		2HDN0.73
TACTETRACYCLINEA2VKE0.73
TACTETRACYCLINEA2TRT0.73
TACTETRACYCLINEB2UXO0.73
TACTETRACYCLINEA,B,D,E,G,H,
J,K,L,N,P,Q,
R,T		1I970.73
TACTETRACYCLINEA,D,H,N1HNW0.73
TACTETRACYCLINEA,B2HCJ0.73
DM82'-BROMO-4'-EPIDAUNORUBICINA276D0.86
DM82'-BROMO-4'-EPIDAUNORUBICINA288D0.86
DM82'-BROMO-4'-EPIDAUNORUBICINA277D0.86
DM82'-BROMO-4'-EPIDAUNORUBICINA,B380D0.86
DM82'-BROMO-4'-EPIDAUNORUBICINA,B381D0.86
DM82'-BROMO-4'-EPIDAUNORUBICINA278D0.86
NGVMETHYL 5,7-DIHYDROXY-2-METHYL-4,6,11-
TRIOXO-3,4,6,11-TETRAHYDROTETRACENE-
1-CARBOXYLATE		A,B,C,D2F980.75
NGVMETHYL 5,7-DIHYDROXY-2-METHYL-4,6,11-
TRIOXO-3,4,6,11-TETRAHYDROTETRACENE-
1-CARBOXYLATE		A1SJW0.75
DM5IDARUBICINA,B,D198D0.9
DM5IDARUBICINA1D380.9
DM5IDARUBICINA1D670.9
7CA5,7-DIHYDROXY-2-(4-METHOXYPHENYL)-
8-(3-METHYLBUTYL)-4-OXO-4H-CHROMEN-
3-YL 6-DEOXY-ALPHA-L-MANNOPYRANOSIDE		A2H440.77
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,B1XDD0.71
NOM7-HYDROXY-5-METHYL-3,3A,5,11B-TETRAHYDRO-
1,4-DIOXA-CYCLOPENTA[A]ANTHRACENE-
2,6,11-TRIONE		A1N5V0.72
B8L3-[(3-SEC-BUTYL-4-HYDROXYBENZOYL)AMINO]AZEPAN-
4-YL 4-(2-HYDROXY-5-METHOXYBENZOYL)BENZOATE		A1REK0.71
AKT10-DECARBOXYMETHYLACLACINOMYCIN T (DCMAT)A1Q0R0.98
DM1DAUNOMYCINA152D0.89
DM1DAUNOMYCINA,B,C,D1O0K0.89
DM1DAUNOMYCINA1JO20.89
DM1DAUNOMYCINA,B308D0.89
DM1DAUNOMYCINA1D330.89
DM1DAUNOMYCINA110D0.89
DM1DAUNOMYCINA1D110.89
DM1DAUNOMYCINA427D0.89
DM1DAUNOMYCINA2D340.89
DM1DAUNOMYCINA3F8F0.89
DM1DAUNOMYCINA1D100.89
DM1DAUNOMYCINA1DA00.89
CHRNEOCARZINOSTATIN-CHROMOPHOREA1O5P0.8
CHRNEOCARZINOSTATIN-CHROMOPHOREA,B1NCO0.8
BDA4-METHYLBENZYL-N-BIS[DAUNOMYCIN]A1AL90.85
BDA4-METHYLBENZYL-N-BIS[DAUNOMYCIN]A1AGL0.85
TXLTAXOTEREA,B,K1IA00.72
TXLTAXOTEREA,B1TUB0.72
NCGA1MP70.73
NCSB1KVH0.78
NCSA2NEO0.78
DRA11-DEOXY-BETA-RHODOMYCINA,B1XDS0.94
DM64'-EPIDOXORUBICINA1D150.89
DM64'-EPIDOXORUBICINA1D540.89
DM64'-EPIDOXORUBICINA1D580.89
DM64'-EPIDOXORUBICINA1QDA0.89
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		A2E140.71
DDIA1R4E0.71
DDIA1P960.71
DM2DOXORUBICINA2DR60.89
DM2DOXORUBICINA1P200.89
DM2DOXORUBICINA1I1E0.89
DM2DOXORUBICINA151D0.89
DM2DOXORUBICINA1D120.89
DM2DOXORUBICINA1DA90.89
DM36-DEOXYDAUNOMYCINA1D140.89
BA1BALANOLA1BX60.74
HEHHEDAMYCINA1JHI0.8
AKV{3-[(1R,3S)-1,3-DIHYDROXYPENTYL]-
4,5,9,10-TETRAHYDROXY-2-ANTHRYL}ACETATE		A,B,C,D2F990.79
OBE3-(3-HYDROXY-BENZOYLOXY)-8-METHYL-
8-AZA-BICYCLO[3.2.1]OCTANE-2-CARBOXYLIC ACID		H1RIV0.7
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
NGPNOGALAMYCIN (PROTONATED FORM)A1L0R0.85
RUTRUTINA,B1RY80.73
NGUU-58872, HYDROXY DERIVATIVE OF NOGALAMYCINA,B1D220.9
STGESTRIOL 3-(B-D-GLUCURONIDE)H2BFV0.72
STGESTRIOL 3-(B-D-GLUCURONIDE)H,L1BFV0.72
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA,B2RH40.7
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA,B3CSD0.7
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA,B2RHR0.7
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA1F0Q0.7
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA3C130.7
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA,B2RHC0.7
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA3BQC0.7
AKYA,B,C,D2IPI0.96
ADL(1,8-DIHYDROXY-9-OXO-9,10-DIHYDRO-
ANTHRACEN-2-YL)-ACETIC ACID		A,B1N5S0.71
TBH5-(2-{2-[(TERT-BUTOXY-HYDROXY-METHYL)-
AMINO]-1-HYDROXY-3-PHENYL-PROPYLAMINO}-
3-HYDROXY-3-PENTYLAMINO-PROPYL)-
2-CARBOXYMETHOXY-BENZOIC ACID		B1JF70.73
TA1TAXOLA,B1JFF0.72
TA1TAXOLA,B,C2HXH0.72
TA1TAXOLA,B,N3DCO0.72
TA1TAXOLA,B,K2P4N0.72
TA1TAXOLA,B,D,F,G3EDL0.72
TA1TAXOLA,B,C2HXF0.72
TA1TAXOLA,B,C2WBE0.72
NOVNOVOBIOCINA,B1KIJ0.73
NOVNOVOBIOCINA,B1S140.73
NOVNOVOBIOCINA1AJ60.73
2HI(2S,3R)-2,7-DIHYDROXY-3-(4-HYDROXYPHENYL)-
2,3-DIHYDRO-4H-CHROMEN-4-ONE		A1ZG30.72
DM9N-HYDROXYMETHYL-N-(2-METHOXYETHYL)-
DAUNOMYCIN		A482D0.86
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		A2O7O0.76
GGTTrioxacarcin AA,B3C2J0.75