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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02464914

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
NCSB1KVH0.79
NCSA2NEO0.79
NODN-ETHYLHYDROXY-DOXORUBICINA385D0.97
DMM3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)-
DOXORUBICIN
A215D0.93
DMM3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)-
DOXORUBICIN
A235D0.93
DMM3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)-
DOXORUBICIN
A234D0.93
DMM3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)-
DOXORUBICIN
A,B2DES0.93
TXLTAXOTEREA,B,K1IA00.71
TXLTAXOTEREA,B1TUB0.71
EH5N-(1-BENZYL-3-{[3-(1,3-DIOXO-1,3-
DIHYDRO-ISOINDOL-2-YL)-PROPIONYL]-
[2-(HEXAHYDRO-BENZO[1,3]DIOXOL-
5-YL)-ETHYL]-AMINO}-2-HYDROXY-PROPYL)-
4-BENZYLOXY-3,5-DIMETHOXY-BENZAMIDE
A1LF30.71
AKYA,B,C,D2IPI0.88
CPB2-(2-CHLORO-PHENYL)-5,7-DIHYDROXY-
8-(3-HYDROXY-1-METHYL-PIPERIDIN-
4-YL)-4H-BENZOPYRAN-4-ONE
A1E1Y0.7
CPB2-(2-CHLORO-PHENYL)-5,7-DIHYDROXY-
8-(3-HYDROXY-1-METHYL-PIPERIDIN-
4-YL)-4H-BENZOPYRAN-4-ONE
A,B3BLR0.7
CPB2-(2-CHLORO-PHENYL)-5,7-DIHYDROXY-
8-(3-HYDROXY-1-METHYL-PIPERIDIN-
4-YL)-4H-BENZOPYRAN-4-ONE
A1C8K0.7
9412-(4-{2-TERT-BUTOXYCARBONYLAMINO-
2-[4-(3-HYDROXY-2-METHOXYCARBONYL-
PHENOXY)-BUTYLCARBAMOYL]-ETHYL}-
PHENOXY)-MALONIC ACID
A1PYN0.71
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
A2O7O0.72
NGUU-58872, HYDROXY DERIVATIVE OF NOGALAMYCINA,B1D220.85
DRA11-DEOXY-BETA-RHODOMYCINA,B1XDS0.89
DM41-O-DEMETHYL-6-DEOXYDOXORUBICINA1D370.91
AKT10-DECARBOXYMETHYLACLACINOMYCIN T (DCMAT)A1Q0R0.9
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,B1TW20.91
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,B1TW30.91
B8L3-[(3-SEC-BUTYL-4-HYDROXYBENZOYL)AMINO]AZEPAN-
4-YL 4-(2-HYDROXY-5-METHOXYBENZOYL)BENZOATE
A1REK0.74
E3GESTRONE BETA-D-GLUCURONIDEH,L1CFV0.7
MAR4'-EPI-4'-(2-DEOXYFUCOSE)DAUNOMYCINA1D360.94
MAR4'-EPI-4'-(2-DEOXYFUCOSE)DAUNOMYCINA1R680.94
MAR4'-EPI-4'-(2-DEOXYFUCOSE)DAUNOMYCINA1D350.94
CCICALICHEAMICIN GAMMA-1-IB1QMS0.72
DM5IDARUBICINA,B,D198D0.91
DM5IDARUBICINA1D380.91
DM5IDARUBICINA1D670.91
AI1N-BENZYL-3-(ALPHA-D-GALACTOS-1-
YL)-BENZAMIDE
D,E,F,G,H,L,
M,N,O,P
1FD70.72
TBH5-(2-{2-[(TERT-BUTOXY-HYDROXY-METHYL)-
AMINO]-1-HYDROXY-3-PHENYL-PROPYLAMINO}-
3-HYDROXY-3-PENTYLAMINO-PROPYL)-
2-CARBOXYMETHOXY-BENZOIC ACID
B1JF70.77
HEHHEDAMYCINA1JHI0.82
NGPNOGALAMYCIN (PROTONATED FORM)A1L0R0.86
CCGCALICHEAMICIN GAMMA-1A2GKC0.72
DM64'-EPIDOXORUBICINA1D150.93
DM64'-EPIDOXORUBICINA1D540.93
DM64'-EPIDOXORUBICINA1D580.93
DM64'-EPIDOXORUBICINA1QDA0.93
BDA4-METHYLBENZYL-N-BIS[DAUNOMYCIN]A1AL90.92
BDA4-METHYLBENZYL-N-BIS[DAUNOMYCIN]A1AGL0.92
AKV{3-[(1R,3S)-1,3-DIHYDROXYPENTYL]-
4,5,9,10-TETRAHYDROXY-2-ANTHRYL}ACETATE
A,B,C,D2F990.71
DM2DOXORUBICINA2DR60.93
DM2DOXORUBICINA1P200.93
DM2DOXORUBICINA1I1E0.93
DM2DOXORUBICINA151D0.93
DM2DOXORUBICINA1D120.93
DM2DOXORUBICINA1DA90.93
DM36-DEOXYDAUNOMYCINA1D140.93
BNRBIS-DAUNORUBICINB1AMD0.89
MNGMENOGARILA,B202D0.87
DM82'-BROMO-4'-EPIDAUNORUBICINA276D0.9
DM82'-BROMO-4'-EPIDAUNORUBICINA288D0.9
DM82'-BROMO-4'-EPIDAUNORUBICINA277D0.9
DM82'-BROMO-4'-EPIDAUNORUBICINA,B380D0.9
DM82'-BROMO-4'-EPIDAUNORUBICINA,B381D0.9
DM82'-BROMO-4'-EPIDAUNORUBICINA278D0.9
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
CHRNEOCARZINOSTATIN-CHROMOPHOREA1O5P0.82
CHRNEOCARZINOSTATIN-CHROMOPHOREA,B1NCO0.82
CMD3'-DESAMINO-3'-(3-CYANO-4-MORPHOLINYL)-
DOXORUBICIN
A236D0.91
DM1DAUNOMYCINA152D0.93
DM1DAUNOMYCINA,B,C,D1O0K0.93
DM1DAUNOMYCINA1JO20.93
DM1DAUNOMYCINA,B308D0.93
DM1DAUNOMYCINA1D330.93
DM1DAUNOMYCINA110D0.93
DM1DAUNOMYCINA1D110.93
DM1DAUNOMYCINA427D0.93
DM1DAUNOMYCINA2D340.93
DM1DAUNOMYCINA3F8F0.93
DM1DAUNOMYCINA1D100.93
DM1DAUNOMYCINA1DA00.93
NCGA1MP70.75
7CA5,7-DIHYDROXY-2-(4-METHOXYPHENYL)-
8-(3-METHYLBUTYL)-4-OXO-4H-CHROMEN-
3-YL 6-DEOXY-ALPHA-L-MANNOPYRANOSIDE
A2H440.76
NOVNOVOBIOCINA,B1KIJ0.74
NOVNOVOBIOCINA,B1S140.74
NOVNOVOBIOCINA1AJ60.74
RUTRUTINA,B1RY80.73
INX2-(CARBOXYMETHOXY)-5-[(2S)-2-({(2S)-
2-[(3-CARBOXYPROPANOYL)AMINO] -
3-PHENYLPROPANOYL}AMINO)-3-OXO-
3-(PENTYLAMINO)PROPYL]BENZOIC ACID
A1G7G0.72
DM74'-DEOXY-4'-IODODOXORUBICINA1IMR0.9
DM74'-DEOXY-4'-IODODOXORUBICINA1IMS0.9
MUS4-METHYL-2-OXO-2H-CHROMEN-7-YL 5-
(ACETYLAMINO)-3,5-DIDEOXY-L-ERYTHRO-
NON-2-ULOPYRANOSIDONIC ACID
A1S0J0.71
S2AA2OEY0.79
DZNDAIDZINA,B,C,D,E,F,
G,H
2VLE0.74
NGMNOGALAMYCINA,B,C,D258D0.85
NGMNOGALAMYCINA282D0.85
NGMNOGALAMYCINA,B224D0.85
NGMNOGALAMYCINA,B245D0.85
NGMNOGALAMYCINA,B1QCH0.85
NGMNOGALAMYCINA1D170.85
NGMNOGALAMYCINA,B1D210.85
NGMNOGALAMYCINA,B182D0.85
5153-({5-[(N-ACETYL-3-{4-[(CARBOXYCARBONYL)(2-
CARBOXYPHENYL)AMINO]-1-NAPHTHYL}-
L-ALANYL)AMINO]PENTYL}OXY)-2-NAPHTHOIC ACID
A1NNY0.71
AKA10-DECARBOXYMETHYLACLACINOMYCIN A (DCMAA)A1Q0Z0.89
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
NCZ2-HYDROXY-7-METHOXY-5-METHYL-NAPHTHALENE-
1-CARBOXYLIC ACID MESO-2,5-DIHYDROXY-
CYCLOPENT-3-ENYL ESTER
A1J5I0.71
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,B1NAB0.91
BA1BALANOLA1BX60.72
DM9N-HYDROXYMETHYL-N-(2-METHOXYETHYL)-
DAUNOMYCIN
A482D0.86
GGTTrioxacarcin AA,B3C2J0.75