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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02456039

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
DM82'-BROMO-4'-EPIDAUNORUBICINA276D0.84
DM82'-BROMO-4'-EPIDAUNORUBICINA288D0.84
DM82'-BROMO-4'-EPIDAUNORUBICINA277D0.84
DM82'-BROMO-4'-EPIDAUNORUBICINA,B380D0.84
DM82'-BROMO-4'-EPIDAUNORUBICINA,B381D0.84
DM82'-BROMO-4'-EPIDAUNORUBICINA278D0.84
MUS4-METHYL-2-OXO-2H-CHROMEN-7-YL 5-
(ACETYLAMINO)-3,5-DIDEOXY-L-ERYTHRO-
NON-2-ULOPYRANOSIDONIC ACID		A1S0J0.73
DM41-O-DEMETHYL-6-DEOXYDOXORUBICINA1D370.84
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,B1TW20.85
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,B1TW30.85
C39N-[(2S,4S,5S,7R)-4-AMINO-8-(BUTYLAMINO)-
5-HYDROXY-7-METHYL-2-(1-METHYLETHYL)-
8-OXOOCTYL]-2-(3-METHOXYPROPOXY)BENZAMIDE		C,O2V120.72
DZNDAIDZINA,B,C,D,E,F,
G,H		2VLE0.71
B8L3-[(3-SEC-BUTYL-4-HYDROXYBENZOYL)AMINO]AZEPAN-
4-YL 4-(2-HYDROXY-5-METHOXYBENZOYL)BENZOATE		A1REK0.77
AKA10-DECARBOXYMETHYLACLACINOMYCIN A (DCMAA)A1Q0Z0.81
DMM3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)-
DOXORUBICIN		A215D0.85
DMM3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)-
DOXORUBICIN		A235D0.85
DMM3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)-
DOXORUBICIN		A234D0.85
DMM3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)-
DOXORUBICIN		A,B2DES0.85
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,B1NAB0.83
TACTETRACYCLINEA,B,C,D,E,F,
G,H,I,J,K,L		2HDN0.7
TACTETRACYCLINEA2VKE0.7
TACTETRACYCLINEA2TRT0.7
TACTETRACYCLINEB2UXO0.7
TACTETRACYCLINEA,B,D,E,G,H,
J,K,L,N,P,Q,
R,T		1I970.7
TACTETRACYCLINEA,D,H,N1HNW0.7
TACTETRACYCLINEA,B2HCJ0.7
485[2-AMINO-3-(4-HYDROXY-PHENYL)-PROPIONYLAMINO]-
(3,4,5-TRIHYDROXY-6-METHYL-TETRAHYDRO-
PYRAN-2-YL)- ACETIC ACID		A1JIL0.72
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
CHRNEOCARZINOSTATIN-CHROMOPHOREA1O5P0.78
CHRNEOCARZINOSTATIN-CHROMOPHOREA,B1NCO0.78
BD23-[(4-HYDROXYBENZOYL)AMINO]AZEPAN-
4-YL 4-(2-HYDROXYBENZOYL)BENZOATE		A1RE80.72
DBON-{(1S,2R)-1-BENZYL-2-HYDROXY-3-
[(3-METHYLBENZYL)AMINO]PROPYL}DIBENZO[B,F]OXEPINE-
10-CARBOXAMIDE		A,B,C,D2EWY0.7
CS9N'-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-
2-HYDROXY-2-[(2R,4R)-4-PHENOXYPYRROLIDIN-
2-YL]ETHYL}-5-METHYL-N,N-DIPROPYLISOPHTHALAMIDE		A,B2QMF0.7
DM1DAUNOMYCINA152D0.87
DM1DAUNOMYCINA,B,C,D1O0K0.87
DM1DAUNOMYCINA1JO20.87
DM1DAUNOMYCINA,B308D0.87
DM1DAUNOMYCINA1D330.87
DM1DAUNOMYCINA110D0.87
DM1DAUNOMYCINA1D110.87
DM1DAUNOMYCINA427D0.87
DM1DAUNOMYCINA2D340.87
DM1DAUNOMYCINA3F8F0.87
DM1DAUNOMYCINA1D100.87
DM1DAUNOMYCINA1DA00.87
NODN-ETHYLHYDROXY-DOXORUBICINA385D0.89
DM9N-HYDROXYMETHYL-N-(2-METHOXYETHYL)-
DAUNOMYCIN		A482D0.79
NGPNOGALAMYCIN (PROTONATED FORM)A1L0R0.82
FLQN-[6-(ACETYLAMINO)HEXYL]-3',6'-
DIHYDROXY-3-OXO-3H-SPIRO[2-BENZOFURAN-
1,9'-XANTHENE]-6-CARBOXAMIDE		C2FDC0.73
MNGMENOGARILA,B202D0.85
CS5N'-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-
2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}-
5-METHYL-N,N-DIPROPYLISOPHTHALAMIDE		A,B2QK50.72
NCGA1MP70.76
DBLDEGLUCOBALHIMYCINA,B,C,P1HHZ0.72
DBLDEGLUCOBALHIMYCINA,B,N,P1HHY0.72
DM64'-EPIDOXORUBICINA1D150.87
DM64'-EPIDOXORUBICINA1D540.87
DM64'-EPIDOXORUBICINA1D580.87
DM64'-EPIDOXORUBICINA1QDA0.87
DM2DOXORUBICINA2DR60.87
DM2DOXORUBICINA1P200.87
DM2DOXORUBICINA1I1E0.87
DM2DOXORUBICINA151D0.87
DM2DOXORUBICINA1D120.87
DM2DOXORUBICINA1DA90.87
C40N-[(2R,4S,5S,7R)-4-AMINO-8-(BUTYLAMINO)-
5-HYDROXY-2,7-DIMETHYL-8-OXOOCTYL]-
2-(3-METHOXYPROPOXY)BENZAMIDE		A2V130.71
NGMNOGALAMYCINA,B,C,D258D0.82
NGMNOGALAMYCINA282D0.82
NGMNOGALAMYCINA,B224D0.82
NGMNOGALAMYCINA,B245D0.82
NGMNOGALAMYCINA,B1QCH0.82
NGMNOGALAMYCINA1D170.82
NGMNOGALAMYCINA,B1D210.82
NGMNOGALAMYCINA,B182D0.82
AKYA,B,C,D2IPI0.8
BNRBIS-DAUNORUBICINB1AMD0.84
CCICALICHEAMICIN GAMMA-1-IB1QMS0.72
EB4N,N',N''-[(3S,7S,11S)-2,6,10-trioxo-
1,5,9-trioxacyclododecane-3,7,11-
triyl]tris(2,3-dihydroxybenzamide)		A,B,C3CMP0.71
4292-{4-[2-ACETYLAMINO-3-(4-CARBOXYMETHOXY-
3-HYDROXY-PHENYL)-PROPIONYLAMINO]-
BUTOXY}-6-HYDROXY-BENZOIC ACID METHYL ESTER		A1QXK0.73
DRA11-DEOXY-BETA-RHODOMYCINA,B1XDS0.81
UMGMETHYL-UMBELLIFERTL-N-ACETYL-CHITOTRIOSEA1BB60.73
DVVDESVANCOSAMINYL VANCOMYCINA,B1PN30.73
DVVDESVANCOSAMINYL VANCOMYCINA,B1RRV0.73
L013-[({(1S,2R)-1-BENZYL-2-HYDROXY-
3-[(3-METHOXYBENZYL)AMINO]PROPYL}AMINO)(HYDROXY)METHYL]-
N,N-DIPROPYLBENZAMIDE		A1W510.71
CCGCALICHEAMICIN GAMMA-1A2GKC0.72
MAR4'-EPI-4'-(2-DEOXYFUCOSE)DAUNOMYCINA1D360.85
MAR4'-EPI-4'-(2-DEOXYFUCOSE)DAUNOMYCINA1R680.85
MAR4'-EPI-4'-(2-DEOXYFUCOSE)DAUNOMYCINA1D350.85
BMYBALHIMYCINA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,S		1GO60.72
BMYBALHIMYCINA,B,C,D,E,M1HHU0.72
A32(3-NITRO-5-(3-MORPHOLIN-4-YL-PROPYLAMINOCARBONYL)PHENYL)-
GALACTOPYRANOSIDE		D,E,F,G,H,L,
M,O,P,V,W,X,
Y,Z		1JQY0.71
GUM4-METHYL-UMBELLIFERYL-N-ACETYL-
CHITOBIOSE		A1BB70.73
A24(3-NITRO-5-(2-MORPHOLIN-4-YL-ETHYLAMINOCARBONYL)PHENYL)-
GALACTOPYRANOSIDE		D,E,F,G,H1JR00.71
INX2-(CARBOXYMETHOXY)-5-[(2S)-2-({(2S)-
2-[(3-CARBOXYPROPANOYL)AMINO] -
3-PHENYLPROPANOYL}AMINO)-3-OXO-
3-(PENTYLAMINO)PROPYL]BENZOIC ACID		A1G7G0.73
545[2-AMINO-3-(4-HYDROXY-PHENYL)-PROPIONYLAMINO]-
(1,3,4,5-TETRAHYDROXY-4-HYDROXYMETHYL-
PIPERIDIN-2-YL)- ACETIC ACID BUTYL ESTER		A1JIK0.71
PCYPACTAMYCINA,D,H,N1HNX0.7
HEHHEDAMYCINA1JHI0.8
NOVNOVOBIOCINA,B1KIJ0.74
NOVNOVOBIOCINA,B1S140.74
NOVNOVOBIOCINA1AJ60.74
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		A1LF30.74
1DMN-(2-MORPHOLIN-4-YL-1-MORPHOLIN-
4-YLMETHYL-ETHYL)-3-NITRO-5-(3,4,5-
TRIHYDROXY-6-HYDROXYMETHYL-TETRAHYDRO-
PYRAN-2-YLOXY)-BENZAMIDE		D,E,F,G,H1PZI0.7
DM5IDARUBICINA,B,D198D0.84
DM5IDARUBICINA1D380.84
DM5IDARUBICINA1D670.84
NCSB1KVH0.75
NCSA2NEO0.75
TBH5-(2-{2-[(TERT-BUTOXY-HYDROXY-METHYL)-
AMINO]-1-HYDROXY-3-PHENYL-PROPYLAMINO}-
3-HYDROXY-3-PENTYLAMINO-PROPYL)-
2-CARBOXYMETHOXY-BENZOIC ACID		B1JF70.73
DM74'-DEOXY-4'-IODODOXORUBICINA1IMR0.83
DM74'-DEOXY-4'-IODODOXORUBICINA1IMS0.83
CMD3'-DESAMINO-3'-(3-CYANO-4-MORPHOLINYL)-
DOXORUBICIN		A236D0.84
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,C2P830.72
DM36-DEOXYDAUNOMYCINA1D140.86
NGUU-58872, HYDROXY DERIVATIVE OF NOGALAMYCINA,B1D220.82
VANVANCOMYCINA1C0R0.72
VANVANCOMYCINA,B1SHO0.72
VANVANCOMYCINA,B1PNV0.72
VANVANCOMYCINA1C0Q0.72
VANVANCOMYCINA1QD80.72
VANVANCOMYCINA,B,C,D,E,F1FVM0.72
VANVANCOMYCINA1AA50.72
BDA4-METHYLBENZYL-N-BIS[DAUNOMYCIN]A1AL90.86
BDA4-METHYLBENZYL-N-BIS[DAUNOMYCIN]A1AGL0.86
AKT10-DECARBOXYMETHYLACLACINOMYCIN T (DCMAT)A1Q0R0.84
AI1N-BENZYL-3-(ALPHA-D-GALACTOS-1-
YL)-BENZAMIDE		D,E,F,G,H,L,
M,N,O,P		1FD70.75
S2AA2OEY0.76
BA1BALANOLA1BX60.77