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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03480159

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
DM82'-BROMO-4'-EPIDAUNORUBICINA276D0.74
DM82'-BROMO-4'-EPIDAUNORUBICINA288D0.74
DM82'-BROMO-4'-EPIDAUNORUBICINA277D0.74
DM82'-BROMO-4'-EPIDAUNORUBICINA,B380D0.74
DM82'-BROMO-4'-EPIDAUNORUBICINA,B381D0.74
DM82'-BROMO-4'-EPIDAUNORUBICINA278D0.74
NGMNOGALAMYCINA,B,C,D258D0.71
NGMNOGALAMYCINA282D0.71
NGMNOGALAMYCINA,B224D0.71
NGMNOGALAMYCINA,B245D0.71
NGMNOGALAMYCINA,B1QCH0.71
NGMNOGALAMYCINA1D170.71
NGMNOGALAMYCINA,B1D210.71
NGMNOGALAMYCINA,B182D0.71
STGESTRIOL 3-(B-D-GLUCURONIDE)H2BFV0.82
STGESTRIOL 3-(B-D-GLUCURONIDE)H,L1BFV0.82
AKT10-DECARBOXYMETHYLACLACINOMYCIN T (DCMAT)A1Q0R0.71
DM41-O-DEMETHYL-6-DEOXYDOXORUBICINA1D370.74
7CA5,7-DIHYDROXY-2-(4-METHOXYPHENYL)-
8-(3-METHYLBUTYL)-4-OXO-4H-CHROMEN-
3-YL 6-DEOXY-ALPHA-L-MANNOPYRANOSIDE		A2H440.75
CMD3'-DESAMINO-3'-(3-CYANO-4-MORPHOLINYL)-
DOXORUBICIN		A236D0.71
NCZ2-HYDROXY-7-METHOXY-5-METHYL-NAPHTHALENE-
1-CARBOXYLIC ACID MESO-2,5-DIHYDROXY-
CYCLOPENT-3-ENYL ESTER		A1J5I0.74
CHRNEOCARZINOSTATIN-CHROMOPHOREA1O5P0.73
CHRNEOCARZINOSTATIN-CHROMOPHOREA,B1NCO0.73
DMM3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)-
DOXORUBICIN		A215D0.73
DMM3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)-
DOXORUBICIN		A235D0.73
DMM3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)-
DOXORUBICIN		A234D0.73
DMM3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)-
DOXORUBICIN		A,B2DES0.73
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
MUG4-METHYLUMBELLIFERYL-ALPHA-D-GLUCOSEA,B,C,D1CJP0.74
MUS4-METHYL-2-OXO-2H-CHROMEN-7-YL 5-
(ACETYLAMINO)-3,5-DIDEOXY-L-ERYTHRO-
NON-2-ULOPYRANOSIDONIC ACID		A1S0J0.74
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		A2E140.7
TBH5-(2-{2-[(TERT-BUTOXY-HYDROXY-METHYL)-
AMINO]-1-HYDROXY-3-PHENYL-PROPYLAMINO}-
3-HYDROXY-3-PENTYLAMINO-PROPYL)-
2-CARBOXYMETHOXY-BENZOIC ACID		B1JF70.71
AKA10-DECARBOXYMETHYLACLACINOMYCIN A (DCMAA)A1Q0Z0.71
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,B1TW20.74
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,B1TW30.74
9412-(4-{2-TERT-BUTOXYCARBONYLAMINO-
2-[4-(3-HYDROXY-2-METHOXYCARBONYL-
PHENOXY)-BUTYLCARBAMOYL]-ETHYL}-
PHENOXY)-MALONIC ACID		A1PYN0.71
WRS4-HYDROXY-3-[(1S,3S)-3-HYDROXY-
1-PHENYLBUTYL]-2H-CHROMEN-2-ONE		A1HA20.72
DM1DAUNOMYCINA152D0.76
DM1DAUNOMYCINA,B,C,D1O0K0.76
DM1DAUNOMYCINA1JO20.76
DM1DAUNOMYCINA,B308D0.76
DM1DAUNOMYCINA1D330.76
DM1DAUNOMYCINA110D0.76
DM1DAUNOMYCINA1D110.76
DM1DAUNOMYCINA427D0.76
DM1DAUNOMYCINA2D340.76
DM1DAUNOMYCINA3F8F0.76
DM1DAUNOMYCINA1D100.76
DM1DAUNOMYCINA1DA00.76
GUM4-METHYL-UMBELLIFERYL-N-ACETYL-
CHITOBIOSE		A1BB70.71
GRR(2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acidA3CDS0.71
SNP1-(ISOPROPYLAMINO)-3-(1-NAPHTHYLOXY)-
2-PROPANOL		A1DY40.71
WRR4-HYDROXY-3-[(1S,3R)-3-HYDROXY-
1-PHENYLBUTYL]-2H-CHROMEN-2-ONE		A1H9Z0.72
DM2DOXORUBICINA2DR60.76
DM2DOXORUBICINA1P200.76
DM2DOXORUBICINA1I1E0.76
DM2DOXORUBICINA151D0.76
DM2DOXORUBICINA1D120.76
DM2DOXORUBICINA1DA90.76
DM64'-EPIDOXORUBICINA1D150.76
DM64'-EPIDOXORUBICINA1D540.76
DM64'-EPIDOXORUBICINA1D580.76
DM64'-EPIDOXORUBICINA1QDA0.76
DM36-DEOXYDAUNOMYCINA1D140.76
DM74'-DEOXY-4'-IODODOXORUBICINA1IMR0.74
DM74'-DEOXY-4'-IODODOXORUBICINA1IMS0.74
DM9N-HYDROXYMETHYL-N-(2-METHOXYETHYL)-
DAUNOMYCIN		A482D0.76
MAR4'-EPI-4'-(2-DEOXYFUCOSE)DAUNOMYCINA1D360.75
MAR4'-EPI-4'-(2-DEOXYFUCOSE)DAUNOMYCINA1R680.75
MAR4'-EPI-4'-(2-DEOXYFUCOSE)DAUNOMYCINA1D350.75
NODN-ETHYLHYDROXY-DOXORUBICINA385D0.76
NGUU-58872, HYDROXY DERIVATIVE OF NOGALAMYCINA,B1D220.71
AKYA,B,C,D2IPI0.72
DRA11-DEOXY-BETA-RHODOMYCINA,B1XDS0.71
NGPNOGALAMYCIN (PROTONATED FORM)A1L0R0.72
CA2(1S,3R,4R,5S)-1,3,4-TRIHYDROXY-
5-(3-PHENOXYPROPYL)CYCLOHEXANECARBOXYLIC ACID		A,B,C,D,E,F,
G,H,I,J,K,L		2BT40.73
MNGMENOGARILA,B202D0.71
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,B3C9W0.71
NOANAPHTHYLOXYACETIC ACIDA,B,I1HIV0.72
NOANAPHTHYLOXYACETIC ACIDI1IVP0.72
NOVNOVOBIOCINA,B1KIJ0.7
NOVNOVOBIOCINA,B1S140.7
NOVNOVOBIOCINA1AJ60.7
BDA4-METHYLBENZYL-N-BIS[DAUNOMYCIN]A1AL90.72
BDA4-METHYLBENZYL-N-BIS[DAUNOMYCIN]A1AGL0.72
L41{4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenoxy}acetic acidA,B3D5F0.71
XX62-{[(2R)-2-HYDROXY-3-(9-PHENANTHRYLOXY)PROPYL]AMINO}PROPANE-
1,3-DIOL		A2V3I0.71
INZ2-{4-[(2S)-2-[({[(1S)-1-CARBOXY-
2-PHENYLETHYL]AMINO}CARBONYL)AMINO]-
3-OXO-3-(PENTYLAMINO)PROPYL]PHENOXY}MALONIC ACID		A1G7F0.7
XX72-{[(2S)-2-HYDROXY-3-(9-PHENANTHRYLOXY)PROPYL]AMINO}PROPANE-
1,3-DIOL		A2V3R0.71
POD9-HYDROXY-5-(3,4,5-TRIMETHOXYPHENYL)-
5,8,8A,9-TETRAHYDROFURO[3',4':6,7]NAPHTHO[2,3-
D][1,3]DIOXOL-6(5AH)-ONE		A,B,C,D1SA10.72
DM5IDARUBICINA,B,D198D0.74
DM5IDARUBICINA1D380.74
DM5IDARUBICINA1D670.74
G24[4-(3-BENZYL-4-HYDROXYBENZYL)-3,5-
DIMETHYLPHENOXY]ACETIC ACID		A1Q4X0.71
SHP(4-HYDROXYMALTOSEPHENYL)GLYCINEA1DSR0.73
GGTTrioxacarcin AA,B3C2J0.73
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,B1NAB0.72
RUTRUTINA,B1RY80.74
LRG(2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acidA3B3K0.72
LRG(2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acidA3D6D0.72
DZNDAIDZINA,B,C,D,E,F,
G,H		2VLE0.73
E3GESTRONE BETA-D-GLUCURONIDEH,L1CFV0.81
AI1N-BENZYL-3-(ALPHA-D-GALACTOS-1-
YL)-BENZAMIDE		D,E,F,G,H,L,
M,N,O,P		1FD70.75
BNRBIS-DAUNORUBICINB1AMD0.7