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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02498412

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
L013-[({(1S,2R)-1-BENZYL-2-HYDROXY-
3-[(3-METHOXYBENZYL)AMINO]PROPYL}AMINO)(HYDROXY)METHYL]-
N,N-DIPROPYLBENZAMIDE		A1W510.7
C39N-[(2S,4S,5S,7R)-4-AMINO-8-(BUTYLAMINO)-
5-HYDROXY-7-METHYL-2-(1-METHYLETHYL)-
8-OXOOCTYL]-2-(3-METHOXYPROPOXY)BENZAMIDE		C,O2V120.7
NGPNOGALAMYCIN (PROTONATED FORM)A1L0R0.76
DRA11-DEOXY-BETA-RHODOMYCINA,B1XDS0.77
S2AA2OEY0.73
AKT10-DECARBOXYMETHYLACLACINOMYCIN T (DCMAT)A1Q0R0.79
AKYA,B,C,D2IPI0.76
NCSB1KVH0.71
NCSA2NEO0.71
DBS2-(2,3-DIHYDROXY-BENZOYLAMINO)-
3-HYDROXY-PROPIONIC ACID		A,B,C1L6M0.71
DBS2-(2,3-DIHYDROXY-BENZOYLAMINO)-
3-HYDROXY-PROPIONIC ACID		A,B,C3CBC0.71
DBS2-(2,3-DIHYDROXY-BENZOYLAMINO)-
3-HYDROXY-PROPIONIC ACID		A,B,C3BY00.71
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
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,B1TW20.78
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,B1TW30.78
ECAN,N',N''-[BENZENE-1,3,5-TRIYLTRIS(METHYLENE)]TRIS(2,3-
DIHYDROXYBENZAMIDE)		A,B2CHU0.72
DM74'-DEOXY-4'-IODODOXORUBICINA1IMR0.75
DM74'-DEOXY-4'-IODODOXORUBICINA1IMS0.75
CHRNEOCARZINOSTATIN-CHROMOPHOREA1O5P0.7
CHRNEOCARZINOSTATIN-CHROMOPHOREA,B1NCO0.7
ZCTA,B,C,D,E,F,
G,H		3B6A0.7
BD23-[(4-HYDROXYBENZOYL)AMINO]AZEPAN-
4-YL 4-(2-HYDROXYBENZOYL)BENZOATE		A1RE80.72
TNC4-DIMETHYLAMINO-1,10,11,12-TETRAHYDROXY-
3-OXO-3,4,4A,5-TETRAHYDRO-NAPHTHACENE-
2-CARBOXYLIC ACID AMIDE		A,B1N5Q0.7
MR0N~3~-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-
2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}-
N~1~,N~1~-DIPROPYLBENZENE-1,3,5-
TRICARBOXAMIDE		A,B,C2P830.71
B8L3-[(3-SEC-BUTYL-4-HYDROXYBENZOYL)AMINO]AZEPAN-
4-YL 4-(2-HYDROXY-5-METHOXYBENZOYL)BENZOATE		A1REK0.74
CTC7-CHLOROTETRACYCLINEA1BJ00.71
CTC7-CHLOROTETRACYCLINEA,B1BJY0.71
CTC7-CHLOROTETRACYCLINEA2FJ10.71
CTC7-CHLOROTETRACYCLINEA1DU70.71
CTC7-CHLOROTETRACYCLINEA,B3EGZ0.71
CTC7-CHLOROTETRACYCLINEA2TCT0.71
TDC5A,6-ANHYDROTETRACYCLINEA2VKV0.74
TDC5A,6-ANHYDROTETRACYCLINEA2VPR0.74
DM5IDARUBICINA,B,D198D0.8
DM5IDARUBICINA1D380.8
DM5IDARUBICINA1D670.8
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,B1NAB0.79
IFBN-[(2',4'-DIFLUORO-4-HYDROXY-5-
IODOBIPHENYL-3-YL)CARBONYL]-BETA-
ALANINE		A,B3FCB0.72
EB4N,N',N''-[(3S,7S,11S)-2,6,10-trioxo-
1,5,9-trioxacyclododecane-3,7,11-
triyl]tris(2,3-dihydroxybenzamide)		A,B,C3CMP0.74
MNGMENOGARILA,B202D0.75
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
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
BNRBIS-DAUNORUBICINB1AMD0.74
TA1TAXOLA,B1JFF0.73
TA1TAXOLA,B,C2HXH0.73
TA1TAXOLA,B,N3DCO0.73
TA1TAXOLA,B,K2P4N0.73
TA1TAXOLA,B,D,F,G3EDL0.73
TA1TAXOLA,B,C2HXF0.73
TA1TAXOLA,B,C2WBE0.73
AKA10-DECARBOXYMETHYLACLACINOMYCIN A (DCMAA)A1Q0Z0.77
NODN-ETHYLHYDROXY-DOXORUBICINA385D0.81
AKV{3-[(1R,3S)-1,3-DIHYDROXYPENTYL]-
4,5,9,10-TETRAHYDROXY-2-ANTHRYL}ACETATE		A,B,C,D2F990.71
TXLTAXOTEREA,B,K1IA00.72
TXLTAXOTEREA,B1TUB0.72
BA1BALANOLA1BX60.74
TACTETRACYCLINEA,B,C,D,E,F,
G,H,I,J,K,L		2HDN0.76
TACTETRACYCLINEA2VKE0.76
TACTETRACYCLINEA2TRT0.76
TACTETRACYCLINEB2UXO0.76
TACTETRACYCLINEA,B,D,E,G,H,
J,K,L,N,P,Q,
R,T		1I970.76
TACTETRACYCLINEA,D,H,N1HNW0.76
TACTETRACYCLINEA,B2HCJ0.76
BDA4-METHYLBENZYL-N-BIS[DAUNOMYCIN]A1AL90.77
BDA4-METHYLBENZYL-N-BIS[DAUNOMYCIN]A1AGL0.77
DM1DAUNOMYCINA152D0.78
DM1DAUNOMYCINA,B,C,D1O0K0.78
DM1DAUNOMYCINA1JO20.78
DM1DAUNOMYCINA,B308D0.78
DM1DAUNOMYCINA1D330.78
DM1DAUNOMYCINA110D0.78
DM1DAUNOMYCINA1D110.78
DM1DAUNOMYCINA427D0.78
DM1DAUNOMYCINA2D340.78
DM1DAUNOMYCINA3F8F0.78
DM1DAUNOMYCINA1D100.78
DM1DAUNOMYCINA1DA00.78
DM41-O-DEMETHYL-6-DEOXYDOXORUBICINA1D370.79
CS5N'-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-
2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}-
5-METHYL-N,N-DIPROPYLISOPHTHALAMIDE		A,B2QK50.71
NGMNOGALAMYCINA,B,C,D258D0.73
NGMNOGALAMYCINA282D0.73
NGMNOGALAMYCINA,B224D0.73
NGMNOGALAMYCINA,B245D0.73
NGMNOGALAMYCINA,B1QCH0.73
NGMNOGALAMYCINA1D170.73
NGMNOGALAMYCINA,B1D210.73
NGMNOGALAMYCINA,B182D0.73
CMD3'-DESAMINO-3'-(3-CYANO-4-MORPHOLINYL)-
DOXORUBICIN		A236D0.75
DM36-DEOXYDAUNOMYCINA1D140.78
DM2DOXORUBICINA2DR60.78
DM2DOXORUBICINA1P200.78
DM2DOXORUBICINA1I1E0.78
DM2DOXORUBICINA151D0.78
DM2DOXORUBICINA1D120.78
DM2DOXORUBICINA1DA90.78
DM64'-EPIDOXORUBICINA1D150.78
DM64'-EPIDOXORUBICINA1D540.78
DM64'-EPIDOXORUBICINA1D580.78
DM64'-EPIDOXORUBICINA1QDA0.78
HEHHEDAMYCINA1JHI0.76
DMM3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)-
DOXORUBICIN		A215D0.76
DMM3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)-
DOXORUBICIN		A235D0.76
DMM3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)-
DOXORUBICIN		A234D0.76
DMM3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)-
DOXORUBICIN		A,B2DES0.76
MAR4'-EPI-4'-(2-DEOXYFUCOSE)DAUNOMYCINA1D360.77
MAR4'-EPI-4'-(2-DEOXYFUCOSE)DAUNOMYCINA1R680.77
MAR4'-EPI-4'-(2-DEOXYFUCOSE)DAUNOMYCINA1D350.77
485[2-AMINO-3-(4-HYDROXY-PHENYL)-PROPIONYLAMINO]-
(3,4,5-TRIHYDROXY-6-METHYL-TETRAHYDRO-
PYRAN-2-YL)- ACETIC ACID		A1JIL0.71
IFAA,B3FC80.73
DM82'-BROMO-4'-EPIDAUNORUBICINA276D0.76
DM82'-BROMO-4'-EPIDAUNORUBICINA288D0.76
DM82'-BROMO-4'-EPIDAUNORUBICINA277D0.76
DM82'-BROMO-4'-EPIDAUNORUBICINA,B380D0.76
DM82'-BROMO-4'-EPIDAUNORUBICINA,B381D0.76
DM82'-BROMO-4'-EPIDAUNORUBICINA278D0.76