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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02495899

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
CHRNEOCARZINOSTATIN-CHROMOPHOREA1O5P0.75
CHRNEOCARZINOSTATIN-CHROMOPHOREA,B1NCO0.75
DM5IDARUBICINA,B,D198D0.79
DM5IDARUBICINA1D380.79
DM5IDARUBICINA1D670.79
NGPNOGALAMYCIN (PROTONATED FORM)A1L0R0.81
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
NODN-ETHYLHYDROXY-DOXORUBICINA385D0.78
TDC5A,6-ANHYDROTETRACYCLINEA2VKV0.7
TDC5A,6-ANHYDROTETRACYCLINEA2VPR0.7
NGMNOGALAMYCINA,B,C,D258D0.81
NGMNOGALAMYCINA282D0.81
NGMNOGALAMYCINA,B224D0.81
NGMNOGALAMYCINA,B245D0.81
NGMNOGALAMYCINA,B1QCH0.81
NGMNOGALAMYCINA1D170.81
NGMNOGALAMYCINA,B1D210.81
NGMNOGALAMYCINA,B182D0.81
ZCTA,B,C,D,E,F,
G,H		3B6A0.75
DZNDAIDZINA,B,C,D,E,F,
G,H		2VLE0.71
AKA10-DECARBOXYMETHYLACLACINOMYCIN A (DCMAA)A1Q0Z0.81
BCG3-(BENZOYLOXY)-8-METHYL-8-AZABICYCLO[3.2.1]OCTANE-
2-CARBOXYLIC ACID		H1QYG0.71
DM82'-BROMO-4'-EPIDAUNORUBICINA276D0.75
DM82'-BROMO-4'-EPIDAUNORUBICINA288D0.75
DM82'-BROMO-4'-EPIDAUNORUBICINA277D0.75
DM82'-BROMO-4'-EPIDAUNORUBICINA,B380D0.75
DM82'-BROMO-4'-EPIDAUNORUBICINA,B381D0.75
DM82'-BROMO-4'-EPIDAUNORUBICINA278D0.75
NCZ2-HYDROXY-7-METHOXY-5-METHYL-NAPHTHALENE-
1-CARBOXYLIC ACID MESO-2,5-DIHYDROXY-
CYCLOPENT-3-ENYL ESTER		A1J5I0.73
PCYPACTAMYCINA,D,H,N1HNX0.71
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
MAR4'-EPI-4'-(2-DEOXYFUCOSE)DAUNOMYCINA1D360.76
MAR4'-EPI-4'-(2-DEOXYFUCOSE)DAUNOMYCINA1R680.76
MAR4'-EPI-4'-(2-DEOXYFUCOSE)DAUNOMYCINA1D350.76
MOAMYCOPHENOLIC ACIDA1ME70.72
MOAMYCOPHENOLIC ACIDA,B1JR10.72
MOAMYCOPHENOLIC ACIDA1MEI0.72
MOAMYCOPHENOLIC ACIDA1MEH0.72
AKV{3-[(1R,3S)-1,3-DIHYDROXYPENTYL]-
4,5,9,10-TETRAHYDROXY-2-ANTHRYL}ACETATE		A,B,C,D2F990.75
AKYA,B,C,D2IPI0.82
NOM7-HYDROXY-5-METHYL-3,3A,5,11B-TETRAHYDRO-
1,4-DIOXA-CYCLOPENTA[A]ANTHRACENE-
2,6,11-TRIONE		A1N5V0.8
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
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		1MX90.72
NGVMETHYL 5,7-DIHYDROXY-2-METHYL-4,6,11-
TRIOXO-3,4,6,11-TETRAHYDROTETRACENE-
1-CARBOXYLATE		A,B,C,D2F980.73
NGVMETHYL 5,7-DIHYDROXY-2-METHYL-4,6,11-
TRIOXO-3,4,6,11-TETRAHYDROTETRACENE-
1-CARBOXYLATE		A1SJW0.73
TACTETRACYCLINEA,B,C,D,E,F,
G,H,I,J,K,L		2HDN0.75
TACTETRACYCLINEA2VKE0.75
TACTETRACYCLINEA2TRT0.75
TACTETRACYCLINEB2UXO0.75
TACTETRACYCLINEA,B,D,E,G,H,
J,K,L,N,P,Q,
R,T		1I970.75
TACTETRACYCLINEA,D,H,N1HNW0.75
TACTETRACYCLINEA,B2HCJ0.75
DM74'-DEOXY-4'-IODODOXORUBICINA1IMR0.74
DM74'-DEOXY-4'-IODODOXORUBICINA1IMS0.74
BNRBIS-DAUNORUBICINB1AMD0.71
BDA4-METHYLBENZYL-N-BIS[DAUNOMYCIN]A1AL90.74
BDA4-METHYLBENZYL-N-BIS[DAUNOMYCIN]A1AGL0.74
DRA11-DEOXY-BETA-RHODOMYCINA,B1XDS0.81
CPH1,8-DIHYDROXY-7-METHYL-3-(1,3,4-
TRIHYDROXY-2-OXO-PENTYL)-3,10-DIHYDRO-
2H-ANTHRACEN-9-ONE		A,B1D830.72
CPH1,8-DIHYDROXY-7-METHYL-3-(1,3,4-
TRIHYDROXY-2-OXO-PENTYL)-3,10-DIHYDRO-
2H-ANTHRACEN-9-ONE		A,B1EKH0.72
CPH1,8-DIHYDROXY-7-METHYL-3-(1,3,4-
TRIHYDROXY-2-OXO-PENTYL)-3,10-DIHYDRO-
2H-ANTHRACEN-9-ONE		A,B1EKI0.72
CPH1,8-DIHYDROXY-7-METHYL-3-(1,3,4-
TRIHYDROXY-2-OXO-PENTYL)-3,10-DIHYDRO-
2H-ANTHRACEN-9-ONE		A,B,C,D1VAQ0.72
DM9N-HYDROXYMETHYL-N-(2-METHOXYETHYL)-
DAUNOMYCIN		A482D0.74
OBE3-(3-HYDROXY-BENZOYLOXY)-8-METHYL-
8-AZA-BICYCLO[3.2.1]OCTANE-2-CARBOXYLIC ACID		H1RIV0.75
NGUU-58872, HYDROXY DERIVATIVE OF NOGALAMYCINA,B1D220.81
CMD3'-DESAMINO-3'-(3-CYANO-4-MORPHOLINYL)-
DOXORUBICIN		A236D0.78
TXLTAXOTEREA,B,K1IA00.7
TXLTAXOTEREA,B1TUB0.7
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,B1TW20.83
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,B1TW30.83
FLQN-[6-(ACETYLAMINO)HEXYL]-3',6'-
DIHYDROXY-3-OXO-3H-SPIRO[2-BENZOFURAN-
1,9'-XANTHENE]-6-CARBOXAMIDE		C2FDC0.71
BA1BALANOLA1BX60.74
HEHHEDAMYCINA1JHI0.79
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,B1NAB0.78
DM41-O-DEMETHYL-6-DEOXYDOXORUBICINA1D370.79
DMM3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)-
DOXORUBICIN		A215D0.79
DMM3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)-
DOXORUBICIN		A235D0.79
DMM3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)-
DOXORUBICIN		A234D0.79
DMM3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)-
DOXORUBICIN		A,B2DES0.79
MNGMENOGARILA,B202D0.83
SDN[(3S)-9-hydroxy-1-methyl-10-oxo-
4,10-dihydro-3H-benzo[g]isochromen-
3-yl]acetic acid		A,B3B6C0.72
DM64'-EPIDOXORUBICINA1D150.77
DM64'-EPIDOXORUBICINA1D540.77
DM64'-EPIDOXORUBICINA1D580.77
DM64'-EPIDOXORUBICINA1QDA0.77
DM2DOXORUBICINA2DR60.77
DM2DOXORUBICINA1P200.77
DM2DOXORUBICINA1I1E0.77
DM2DOXORUBICINA151D0.77
DM2DOXORUBICINA1D120.77
DM2DOXORUBICINA1DA90.77
NCSB1KVH0.75
NCSA2NEO0.75
DM36-DEOXYDAUNOMYCINA1D140.78
AKT10-DECARBOXYMETHYLACLACINOMYCIN T (DCMAT)A1Q0R0.84
DM1DAUNOMYCINA152D0.77
DM1DAUNOMYCINA,B,C,D1O0K0.77
DM1DAUNOMYCINA1JO20.77
DM1DAUNOMYCINA,B308D0.77
DM1DAUNOMYCINA1D330.77
DM1DAUNOMYCINA110D0.77
DM1DAUNOMYCINA1D110.77
DM1DAUNOMYCINA427D0.77
DM1DAUNOMYCINA2D340.77
DM1DAUNOMYCINA3F8F0.77
DM1DAUNOMYCINA1D100.77
DM1DAUNOMYCINA1DA00.77
S2AA2OEY0.71
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		A2O7O0.76
485[2-AMINO-3-(4-HYDROXY-PHENYL)-PROPIONYLAMINO]-
(3,4,5-TRIHYDROXY-6-METHYL-TETRAHYDRO-
PYRAN-2-YL)- ACETIC ACID		A1JIL0.71