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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00017113

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
TACTETRACYCLINEA,B,C,D,E,F,
G,H,I,J,K,L		2HDN0.77
TACTETRACYCLINEA2VKE0.77
TACTETRACYCLINEA2TRT0.77
TACTETRACYCLINEB2UXO0.77
TACTETRACYCLINEA,B,D,E,G,H,
J,K,L,N,P,Q,
R,T		1I970.77
TACTETRACYCLINEA,D,H,N1HNW0.77
TACTETRACYCLINEA,B2HCJ0.77
CHRNEOCARZINOSTATIN-CHROMOPHOREA1O5P0.75
CHRNEOCARZINOSTATIN-CHROMOPHOREA,B1NCO0.75
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,B1TW20.75
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,B1TW30.75
5616-HYDROXY-3-{(4R)-1-[4-(1-NAPHTHYLAMINO)-
4-OXOBUTYL]-1,2,3-TRIAZOLIDIN-4-
YL}-1-BENZOFURAN-5-CARBOXYLIC ACID		A,B2QCT0.71
RBTRIFABUTINA,B,C,D,E,F,
K,L,M,N,O,P		2A680.73
HEHHEDAMYCINA1JHI0.75
C01(2S)-(4-ISOPROPYLPHENYL)[(2-METHYL-
3-OXO-5,7-DIPROPYL-2,3-DIHYDRO-
1,2-BENZISOXAZOL-6-YL)OXY]ACETATE		A1ZEO0.71
AKYA,B,C,D2IPI0.76
PY94-{[(2R)-2-(2-methylphenyl)pyrrolidin-
1-yl]carbonyl}benzene-1,3-diol		A,B3EKR0.7
D2C(2S,4S,4AR,5AS,6S,11R,11AS,12R,12AR)-
7-CHLORO-4-(DIMETHYLAMINO)-6,10,11,12-
TETRAHYDROXY-1,3-DIOXO-1,2,3,4,4A,5,5A,6,11,11A,12,12A-
DODECAHYDROTETRACENE-2-CARBOXAMIDE		A,D,M,N,Z2F4V0.76
BD23-[(4-HYDROXYBENZOYL)AMINO]AZEPAN-
4-YL 4-(2-HYDROXYBENZOYL)BENZOATE		A1RE80.73
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
NGUU-58872, HYDROXY DERIVATIVE OF NOGALAMYCINA,B1D220.73
DM82'-BROMO-4'-EPIDAUNORUBICINA276D0.72
DM82'-BROMO-4'-EPIDAUNORUBICINA288D0.72
DM82'-BROMO-4'-EPIDAUNORUBICINA277D0.72
DM82'-BROMO-4'-EPIDAUNORUBICINA,B380D0.72
DM82'-BROMO-4'-EPIDAUNORUBICINA,B381D0.72
DM82'-BROMO-4'-EPIDAUNORUBICINA278D0.72
DM74'-DEOXY-4'-IODODOXORUBICINA1IMR0.75
DM74'-DEOXY-4'-IODODOXORUBICINA1IMS0.75
AKV{3-[(1R,3S)-1,3-DIHYDROXYPENTYL]-
4,5,9,10-TETRAHYDROXY-2-ANTHRYL}ACETATE		A,B,C,D2F990.73
DMM3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)-
DOXORUBICIN		A215D0.72
DMM3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)-
DOXORUBICIN		A235D0.72
DMM3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)-
DOXORUBICIN		A234D0.72
DMM3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)-
DOXORUBICIN		A,B2DES0.72
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
RFPRIFAMPICINA1SKX0.7
RFPRIFAMPICINA2HW20.7
RFPRIFAMPICINC,D1I6V0.7
RFPRIFAMPICINC,D1YNN0.7
NCZ2-HYDROXY-7-METHOXY-5-METHYL-NAPHTHALENE-
1-CARBOXYLIC ACID MESO-2,5-DIHYDROXY-
CYCLOPENT-3-ENYL ESTER		A1J5I0.72
DRA11-DEOXY-BETA-RHODOMYCINA,B1XDS0.74
MNGMENOGARILA,B202D0.73
B8L3-[(3-SEC-BUTYL-4-HYDROXYBENZOYL)AMINO]AZEPAN-
4-YL 4-(2-HYDROXY-5-METHOXYBENZOYL)BENZOATE		A1REK0.74
TNC4-DIMETHYLAMINO-1,10,11,12-TETRAHYDROXY-
3-OXO-3,4,4A,5-TETRAHYDRO-NAPHTHACENE-
2-CARBOXYLIC ACID AMIDE		A,B1N5Q0.77
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
NODN-ETHYLHYDROXY-DOXORUBICINA385D0.74
DM9N-HYDROXYMETHYL-N-(2-METHOXYETHYL)-
DAUNOMYCIN		A482D0.71
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		A2O7O0.78
FLQN-[6-(ACETYLAMINO)HEXYL]-3',6'-
DIHYDROXY-3-OXO-3H-SPIRO[2-BENZOFURAN-
1,9'-XANTHENE]-6-CARBOXAMIDE		C2FDC0.75
NCGA1MP70.74
MAR4'-EPI-4'-(2-DEOXYFUCOSE)DAUNOMYCINA1D360.73
MAR4'-EPI-4'-(2-DEOXYFUCOSE)DAUNOMYCINA1R680.73
MAR4'-EPI-4'-(2-DEOXYFUCOSE)DAUNOMYCINA1D350.73
DM64'-EPIDOXORUBICINA1D150.74
DM64'-EPIDOXORUBICINA1D540.74
DM64'-EPIDOXORUBICINA1D580.74
DM64'-EPIDOXORUBICINA1QDA0.74
DM2DOXORUBICINA2DR60.74
DM2DOXORUBICINA1P200.74
DM2DOXORUBICINA1I1E0.74
DM2DOXORUBICINA151D0.74
DM2DOXORUBICINA1D120.74
DM2DOXORUBICINA1DA90.74
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
DM36-DEOXYDAUNOMYCINA1D140.75
NCSB1KVH0.7
NCSA2NEO0.7
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,B1NAB0.74
BNRBIS-DAUNORUBICINB1AMD0.73
CMD3'-DESAMINO-3'-(3-CYANO-4-MORPHOLINYL)-
DOXORUBICIN		A236D0.72
4292-{4-[2-ACETYLAMINO-3-(4-CARBOXYMETHOXY-
3-HYDROXY-PHENYL)-PROPIONYLAMINO]-
BUTOXY}-6-HYDROXY-BENZOIC ACID METHYL ESTER		A1QXK0.74
DM1DAUNOMYCINA152D0.74
DM1DAUNOMYCINA,B,C,D1O0K0.74
DM1DAUNOMYCINA1JO20.74
DM1DAUNOMYCINA,B308D0.74
DM1DAUNOMYCINA1D330.74
DM1DAUNOMYCINA110D0.74
DM1DAUNOMYCINA1D110.74
DM1DAUNOMYCINA427D0.74
DM1DAUNOMYCINA2D340.74
DM1DAUNOMYCINA3F8F0.74
DM1DAUNOMYCINA1D100.74
DM1DAUNOMYCINA1DA00.74
OBE3-(3-HYDROXY-BENZOYLOXY)-8-METHYL-
8-AZA-BICYCLO[3.2.1]OCTANE-2-CARBOXYLIC ACID		H1RIV0.74
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
BDA4-METHYLBENZYL-N-BIS[DAUNOMYCIN]A1AL90.72
BDA4-METHYLBENZYL-N-BIS[DAUNOMYCIN]A1AGL0.72
INX2-(CARBOXYMETHOXY)-5-[(2S)-2-({(2S)-
2-[(3-CARBOXYPROPANOYL)AMINO] -
3-PHENYLPROPANOYL}AMINO)-3-OXO-
3-(PENTYLAMINO)PROPYL]BENZOIC ACID		A1G7G0.72
AKT10-DECARBOXYMETHYLACLACINOMYCIN T (DCMAT)A1Q0R0.75
NGPNOGALAMYCIN (PROTONATED FORM)A1L0R0.73
BA1BALANOLA1BX60.78
AKA10-DECARBOXYMETHYLACLACINOMYCIN A (DCMAA)A1Q0Z0.74
CTC7-CHLOROTETRACYCLINEA1BJ00.72
CTC7-CHLOROTETRACYCLINEA,B1BJY0.72
CTC7-CHLOROTETRACYCLINEA2FJ10.72
CTC7-CHLOROTETRACYCLINEA1DU70.72
CTC7-CHLOROTETRACYCLINEA,B3EGZ0.72
CTC7-CHLOROTETRACYCLINEA2TCT0.72
NGMNOGALAMYCINA,B,C,D258D0.73
NGMNOGALAMYCINA282D0.73
NGMNOGALAMYCINA,B224D0.73
NGMNOGALAMYCINA,B245D0.73
NGMNOGALAMYCINA,B1QCH0.73
NGMNOGALAMYCINA1D170.73
NGMNOGALAMYCINA,B1D210.73
NGMNOGALAMYCINA,B182D0.73
TDC5A,6-ANHYDROTETRACYCLINEA2VKV0.82
TDC5A,6-ANHYDROTETRACYCLINEA2VPR0.82
DM5IDARUBICINA,B,D198D0.75
DM5IDARUBICINA1D380.75
DM5IDARUBICINA1D670.75
DM41-O-DEMETHYL-6-DEOXYDOXORUBICINA1D370.76
485[2-AMINO-3-(4-HYDROXY-PHENYL)-PROPIONYLAMINO]-
(3,4,5-TRIHYDROXY-6-METHYL-TETRAHYDRO-
PYRAN-2-YL)- ACETIC ACID		A1JIL0.71
9412-(4-{2-TERT-BUTOXYCARBONYLAMINO-
2-[4-(3-HYDROXY-2-METHOXYCARBONYL-
PHENOXY)-BUTYLCARBAMOYL]-ETHYL}-
PHENOXY)-MALONIC ACID		A1PYN0.72