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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02461075

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
SMASTIGMATELLIN AA,C,D,E,N,P,
Q,R		3H1I0.71
SMASTIGMATELLIN AA,B,C,D,E,F,
G,O,P,Q,R,S,T		1PPJ0.71
SMASTIGMATELLIN AA,C,D,E,L,N,
O,P,W		3CXH0.71
SMASTIGMATELLIN AC,D,E,P,Q,R1ZRT0.71
SMASTIGMATELLIN AC,H,L,M2JBL0.71
SMASTIGMATELLIN AA,B,C,D,E,F,
G,I,N,O,P,Q,
R,S,T,U,V,W		2A060.71
SMASTIGMATELLIN AA,B,C,D,E,F,
G,H,I,J,K,L		2QJP0.71
SMASTIGMATELLIN AA,C,D,E1KB90.71
SMASTIGMATELLIN AA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R		2QJK0.71
SMASTIGMATELLIN AA,B,C,D,E,F,
G,N,O,P,Q,R,
S,T		1PP90.71
SMASTIGMATELLIN AC,D,E2IBZ0.71
SMASTIGMATELLIN AA,C,D,E,L,N,
O,P,W		3CX50.71
SMASTIGMATELLIN AA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R		2FYN0.71
SMASTIGMATELLIN AA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R		2QJY0.71
SMASTIGMATELLIN AC,D,E1EZV0.71
SMASTIGMATELLIN AC,D,E,N,O,P,W1KYO0.71
SMASTIGMATELLIN AA,C,D,E,G,N,
P,Q,R,S		3H1J0.71
SMASTIGMATELLIN AC,D,E1SQX0.71
DDIA1R4E0.72
DDIA1P960.72
DMM3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)-
DOXORUBICIN		A215D0.92
DMM3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)-
DOXORUBICIN		A235D0.92
DMM3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)-
DOXORUBICIN		A234D0.92
DMM3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)-
DOXORUBICIN		A,B2DES0.92
GGTTrioxacarcin AA,B3C2J0.79
DXB1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1-
METHOXY-2-OXY-3,4-DIHYDROXYPENTYL)-
8,9-DIHYDROXY-7-METHYL-ANTHRACENE		A,B1BP80.72
L41{4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenoxy}acetic acidA,B3D5F0.73
NODN-ETHYLHYDROXY-DOXORUBICINA385D0.95
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
B8L3-[(3-SEC-BUTYL-4-HYDROXYBENZOYL)AMINO]AZEPAN-
4-YL 4-(2-HYDROXY-5-METHOXYBENZOYL)BENZOATE		A1REK0.72
NCZ2-HYDROXY-7-METHOXY-5-METHYL-NAPHTHALENE-
1-CARBOXYLIC ACID MESO-2,5-DIHYDROXY-
CYCLOPENT-3-ENYL ESTER		A1J5I0.75
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
MNGMENOGARILA,B202D0.86
NOVNOVOBIOCINA,B1KIJ0.71
NOVNOVOBIOCINA,B1S140.71
NOVNOVOBIOCINA1AJ60.71
AKYA,B,C,D2IPI0.88
DXA1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1-
METHOXY-2-OXY-3,4-DIHYDROXYPENTYL)-
8,9-DIHYDROXY-7-(SEC-BUTYL)-ANTHRACENE		A,B1CP80.72
E3GESTRONE BETA-D-GLUCURONIDEH,L1CFV0.73
CMD3'-DESAMINO-3'-(3-CYANO-4-MORPHOLINYL)-
DOXORUBICIN		A236D0.9
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
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,B3C9W0.74
DRA11-DEOXY-BETA-RHODOMYCINA,B1XDS0.89
BA1BALANOLA1BX60.71
AKV{3-[(1R,3S)-1,3-DIHYDROXYPENTYL]-
4,5,9,10-TETRAHYDROXY-2-ANTHRYL}ACETATE		A,B,C,D2F990.75
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
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		A2E140.73
DM41-O-DEMETHYL-6-DEOXYDOXORUBICINA1D370.95
ZCTA,B,C,D,E,F,
G,H		3B6A0.72
NCGA1MP70.74
BDA4-METHYLBENZYL-N-BIS[DAUNOMYCIN]A1AL90.92
BDA4-METHYLBENZYL-N-BIS[DAUNOMYCIN]A1AGL0.92
DZNDAIDZINA,B,C,D,E,F,
G,H		2VLE0.77
2HI(2S,3R)-2,7-DIHYDROXY-3-(4-HYDROXYPHENYL)-
2,3-DIHYDRO-4H-CHROMEN-4-ONE		A1ZG30.73
DH2(2S,3S)-2-(3,4-DIHYDROXYPHENYL)-
3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H-
CHROMEN-4-ONE		A1GP50.72
DH2(2S,3S)-2-(3,4-DIHYDROXYPHENYL)-
3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H-
CHROMEN-4-ONE		A1GP60.72
NCSB1KVH0.78
NCSA2NEO0.78
RUTRUTINA,B1RY80.77
BNRBIS-DAUNORUBICINB1AMD0.89
STGESTRIOL 3-(B-D-GLUCURONIDE)H2BFV0.73
STGESTRIOL 3-(B-D-GLUCURONIDE)H,L1BFV0.73
DM5IDARUBICINA,B,D198D0.95
DM5IDARUBICINA1D380.95
DM5IDARUBICINA1D670.95
DM74'-DEOXY-4'-IODODOXORUBICINA1IMR0.94
DM74'-DEOXY-4'-IODODOXORUBICINA1IMS0.94
CCICALICHEAMICIN GAMMA-1-IB1QMS0.7
AI1N-BENZYL-3-(ALPHA-D-GALACTOS-1-
YL)-BENZAMIDE		D,E,F,G,H,L,
M,N,O,P		1FD70.7
NGVMETHYL 5,7-DIHYDROXY-2-METHYL-4,6,11-
TRIOXO-3,4,6,11-TETRAHYDROTETRACENE-
1-CARBOXYLATE		A,B,C,D2F980.71
NGVMETHYL 5,7-DIHYDROXY-2-METHYL-4,6,11-
TRIOXO-3,4,6,11-TETRAHYDROTETRACENE-
1-CARBOXYLATE		A1SJW0.71
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,B1NAB0.95
CRH1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1-
METHOXY-2-OXY-3,4-DIHYDROXYPENTYL)-
8,9-DIHYROXY-7-METHYLANTHRACENE		A,B146D0.72
CRH1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1-
METHOXY-2-OXY-3,4-DIHYDROXYPENTYL)-
8,9-DIHYROXY-7-METHYLANTHRACENE		A,B207D0.72
DQH(2R,3R)-2-(3,4-DIHYDROXYPHENYL)-
3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H-
CHROMEN-4-ONE		A1GP50.72
DQH(2R,3R)-2-(3,4-DIHYDROXYPHENYL)-
3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H-
CHROMEN-4-ONE		D,F2C290.72
ERD(2S)-2-(3,4-DIHYDROXYPHENYL)-5,7-
DIHYDROXY-2,3-DIHYDRO-4H-CHROMEN-
4-ONE		D,F2NNL0.7
TBH5-(2-{2-[(TERT-BUTOXY-HYDROXY-METHYL)-
AMINO]-1-HYDROXY-3-PHENYL-PROPYLAMINO}-
3-HYDROXY-3-PENTYLAMINO-PROPYL)-
2-CARBOXYMETHOXY-BENZOIC ACID		B1JF70.74
DM82'-BROMO-4'-EPIDAUNORUBICINA276D0.94
DM82'-BROMO-4'-EPIDAUNORUBICINA288D0.94
DM82'-BROMO-4'-EPIDAUNORUBICINA277D0.94
DM82'-BROMO-4'-EPIDAUNORUBICINA,B380D0.94
DM82'-BROMO-4'-EPIDAUNORUBICINA,B381D0.94
DM82'-BROMO-4'-EPIDAUNORUBICINA278D0.94
CHRNEOCARZINOSTATIN-CHROMOPHOREA1O5P0.81
CHRNEOCARZINOSTATIN-CHROMOPHOREA,B1NCO0.81
DM1DAUNOMYCINA152D0.98
DM1DAUNOMYCINA,B,C,D1O0K0.98
DM1DAUNOMYCINA1JO20.98
DM1DAUNOMYCINA,B308D0.98
DM1DAUNOMYCINA1D330.98
DM1DAUNOMYCINA110D0.98
DM1DAUNOMYCINA1D110.98
DM1DAUNOMYCINA427D0.98
DM1DAUNOMYCINA2D340.98
DM1DAUNOMYCINA3F8F0.98
DM1DAUNOMYCINA1D100.98
DM1DAUNOMYCINA1DA00.98
S2AA2OEY0.79
TA1TAXOLA,B1JFF0.7
TA1TAXOLA,B,C2HXH0.7
TA1TAXOLA,B,N3DCO0.7
TA1TAXOLA,B,K2P4N0.7
TA1TAXOLA,B,D,F,G3EDL0.7
TA1TAXOLA,B,C2HXF0.7
TA1TAXOLA,B,C2WBE0.7
AKT10-DECARBOXYMETHYLACLACINOMYCIN T (DCMAT)A1Q0R0.89
MAR4'-EPI-4'-(2-DEOXYFUCOSE)DAUNOMYCINA1D360.98
MAR4'-EPI-4'-(2-DEOXYFUCOSE)DAUNOMYCINA1R680.98
MAR4'-EPI-4'-(2-DEOXYFUCOSE)DAUNOMYCINA1D350.98
NGMNOGALAMYCINA,B,C,D258D0.85
NGMNOGALAMYCINA282D0.85
NGMNOGALAMYCINA,B224D0.85
NGMNOGALAMYCINA,B245D0.85
NGMNOGALAMYCINA,B1QCH0.85
NGMNOGALAMYCINA1D170.85
NGMNOGALAMYCINA,B1D210.85
NGMNOGALAMYCINA,B182D0.85
DM36-DEOXYDAUNOMYCINA1D140.97
7CA5,7-DIHYDROXY-2-(4-METHOXYPHENYL)-
8-(3-METHYLBUTYL)-4-OXO-4H-CHROMEN-
3-YL 6-DEOXY-ALPHA-L-MANNOPYRANOSIDE		A2H440.79
AKA10-DECARBOXYMETHYLACLACINOMYCIN A (DCMAA)A1Q0Z0.89
NGPNOGALAMYCIN (PROTONATED FORM)A1L0R0.84
SIGSTIGMATELLINC,D,E2BCC0.7
SIGSTIGMATELLINC,D,E3BCC0.7
HEHHEDAMYCINA1JHI0.81
DM9N-HYDROXYMETHYL-N-(2-METHOXYETHYL)-
DAUNOMYCIN		A482D0.86
DM64'-EPIDOXORUBICINA1D150.98
DM64'-EPIDOXORUBICINA1D540.98
DM64'-EPIDOXORUBICINA1D580.98
DM64'-EPIDOXORUBICINA1QDA0.98
DM2DOXORUBICINA2DR60.98
DM2DOXORUBICINA1P200.98
DM2DOXORUBICINA1I1E0.98
DM2DOXORUBICINA151D0.98
DM2DOXORUBICINA1D120.98
DM2DOXORUBICINA1DA90.98
INX2-(CARBOXYMETHOXY)-5-[(2S)-2-({(2S)-
2-[(3-CARBOXYPROPANOYL)AMINO] -
3-PHENYLPROPANOYL}AMINO)-3-OXO-
3-(PENTYLAMINO)PROPYL]BENZOIC ACID		A1G7G0.7