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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02462174

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
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		A2O7O0.74
DDIA1R4E0.72
DDIA1P960.72
MNGMENOGARILA,B202D0.91
AKV{3-[(1R,3S)-1,3-DIHYDROXYPENTYL]-
4,5,9,10-TETRAHYDROXY-2-ANTHRYL}ACETATE		A,B,C,D2F990.72
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
DM41-O-DEMETHYL-6-DEOXYDOXORUBICINA1D370.89
B8L3-[(3-SEC-BUTYL-4-HYDROXYBENZOYL)AMINO]AZEPAN-
4-YL 4-(2-HYDROXY-5-METHOXYBENZOYL)BENZOATE		A1REK0.77
AKA10-DECARBOXYMETHYLACLACINOMYCIN A (DCMAA)A1Q0Z0.87
DM82'-BROMO-4'-EPIDAUNORUBICINA276D0.89
DM82'-BROMO-4'-EPIDAUNORUBICINA288D0.89
DM82'-BROMO-4'-EPIDAUNORUBICINA277D0.89
DM82'-BROMO-4'-EPIDAUNORUBICINA,B380D0.89
DM82'-BROMO-4'-EPIDAUNORUBICINA,B381D0.89
DM82'-BROMO-4'-EPIDAUNORUBICINA278D0.89
MUS4-METHYL-2-OXO-2H-CHROMEN-7-YL 5-
(ACETYLAMINO)-3,5-DIDEOXY-L-ERYTHRO-
NON-2-ULOPYRANOSIDONIC ACID		A1S0J0.74
545[2-AMINO-3-(4-HYDROXY-PHENYL)-PROPIONYLAMINO]-
(1,3,4,5-TETRAHYDROXY-4-HYDROXYMETHYL-
PIPERIDIN-2-YL)- ACETIC ACID BUTYL ESTER		A1JIK0.7
7CA5,7-DIHYDROXY-2-(4-METHOXYPHENYL)-
8-(3-METHYLBUTYL)-4-OXO-4H-CHROMEN-
3-YL 6-DEOXY-ALPHA-L-MANNOPYRANOSIDE		A2H440.74
NOVNOVOBIOCINA,B1KIJ0.76
NOVNOVOBIOCINA,B1S140.76
NOVNOVOBIOCINA1AJ60.76
CMD3'-DESAMINO-3'-(3-CYANO-4-MORPHOLINYL)-
DOXORUBICIN		A236D0.9
NM13-(7-BENZYL-4,5-DIHYDROXY-1,1-DIOXO-
3,6-BIS-PHENOXYMETHYL-1L6-[1,2,7]THIADIAZEPAN-
2-YLMETHYL)-N-METHYL-BENZAMIDE		B1G2K0.71
OBE3-(3-HYDROXY-BENZOYLOXY)-8-METHYL-
8-AZA-BICYCLO[3.2.1]OCTANE-2-CARBOXYLIC ACID		H1RIV0.71
CPB2-(2-CHLORO-PHENYL)-5,7-DIHYDROXY-
8-(3-HYDROXY-1-METHYL-PIPERIDIN-
4-YL)-4H-BENZOPYRAN-4-ONE		A1E1Y0.74
CPB2-(2-CHLORO-PHENYL)-5,7-DIHYDROXY-
8-(3-HYDROXY-1-METHYL-PIPERIDIN-
4-YL)-4H-BENZOPYRAN-4-ONE		A,B3BLR0.74
CPB2-(2-CHLORO-PHENYL)-5,7-DIHYDROXY-
8-(3-HYDROXY-1-METHYL-PIPERIDIN-
4-YL)-4H-BENZOPYRAN-4-ONE		A1C8K0.74
NGUU-58872, HYDROXY DERIVATIVE OF NOGALAMYCINA,B1D220.89
FLQN-[6-(ACETYLAMINO)HEXYL]-3',6'-
DIHYDROXY-3-OXO-3H-SPIRO[2-BENZOFURAN-
1,9'-XANTHENE]-6-CARBOXAMIDE		C2FDC0.74
XX62-{[(2R)-2-HYDROXY-3-(9-PHENANTHRYLOXY)PROPYL]AMINO}PROPANE-
1,3-DIOL		A2V3I0.7
BD23-[(4-HYDROXYBENZOYL)AMINO]AZEPAN-
4-YL 4-(2-HYDROXYBENZOYL)BENZOATE		A1RE80.72
NCGA1MP70.79
XX72-{[(2S)-2-HYDROXY-3-(9-PHENANTHRYLOXY)PROPYL]AMINO}PROPANE-
1,3-DIOL		A2V3R0.7
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
HEHHEDAMYCINA1JHI0.86
TACTETRACYCLINEA,B,C,D,E,F,
G,H,I,J,K,L		2HDN0.73
TACTETRACYCLINEA2VKE0.73
TACTETRACYCLINEA2TRT0.73
TACTETRACYCLINEB2UXO0.73
TACTETRACYCLINEA,B,D,E,G,H,
J,K,L,N,P,Q,
R,T		1I970.73
TACTETRACYCLINEA,D,H,N1HNW0.73
TACTETRACYCLINEA,B2HCJ0.73
NODN-ETHYLHYDROXY-DOXORUBICINA385D0.96
DBLDEGLUCOBALHIMYCINA,B,C,P1HHZ0.72
DBLDEGLUCOBALHIMYCINA,B,N,P1HHY0.72
NCSB1KVH0.8
NCSA2NEO0.8
C40N-[(2R,4S,5S,7R)-4-AMINO-8-(BUTYLAMINO)-
5-HYDROXY-2,7-DIMETHYL-8-OXOOCTYL]-
2-(3-METHOXYPROPOXY)BENZAMIDE		A2V130.71
PCYPACTAMYCINA,D,H,N1HNX0.72
4292-{4-[2-ACETYLAMINO-3-(4-CARBOXYMETHOXY-
3-HYDROXY-PHENYL)-PROPIONYLAMINO]-
BUTOXY}-6-HYDROXY-BENZOIC ACID METHYL ESTER		A1QXK0.73
DM2DOXORUBICINA2DR60.92
DM2DOXORUBICINA1P200.92
DM2DOXORUBICINA1I1E0.92
DM2DOXORUBICINA151D0.92
DM2DOXORUBICINA1D120.92
DM2DOXORUBICINA1DA90.92
GUM4-METHYL-UMBELLIFERYL-N-ACETYL-
CHITOBIOSE		A1BB70.75
DRA11-DEOXY-BETA-RHODOMYCINA,B1XDS0.87
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,B1NAB0.89
DM64'-EPIDOXORUBICINA1D150.92
DM64'-EPIDOXORUBICINA1D540.92
DM64'-EPIDOXORUBICINA1D580.92
DM64'-EPIDOXORUBICINA1QDA0.92
TBH5-(2-{2-[(TERT-BUTOXY-HYDROXY-METHYL)-
AMINO]-1-HYDROXY-3-PHENYL-PROPYLAMINO}-
3-HYDROXY-3-PENTYLAMINO-PROPYL)-
2-CARBOXYMETHOXY-BENZOIC ACID		B1JF70.77
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
TDC5A,6-ANHYDROTETRACYCLINEA2VKV0.71
TDC5A,6-ANHYDROTETRACYCLINEA2VPR0.71
DM74'-DEOXY-4'-IODODOXORUBICINA1IMR0.88
DM74'-DEOXY-4'-IODODOXORUBICINA1IMS0.88
CCGCALICHEAMICIN GAMMA-1A2GKC0.72
VANVANCOMYCINA1C0R0.73
VANVANCOMYCINA,B1SHO0.73
VANVANCOMYCINA,B1PNV0.73
VANVANCOMYCINA1C0Q0.73
VANVANCOMYCINA1QD80.73
VANVANCOMYCINA,B,C,D,E,F1FVM0.73
VANVANCOMYCINA1AA50.73
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
UMGMETHYL-UMBELLIFERTL-N-ACETYL-CHITOTRIOSEA1BB60.74
DM9N-HYDROXYMETHYL-N-(2-METHOXYETHYL)-
DAUNOMYCIN		A482D0.85
DMM3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)-
DOXORUBICIN		A215D0.9
DMM3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)-
DOXORUBICIN		A235D0.9
DMM3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)-
DOXORUBICIN		A234D0.9
DMM3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)-
DOXORUBICIN		A,B2DES0.9
DM1DAUNOMYCINA152D0.92
DM1DAUNOMYCINA,B,C,D1O0K0.92
DM1DAUNOMYCINA1JO20.92
DM1DAUNOMYCINA,B308D0.92
DM1DAUNOMYCINA1D330.92
DM1DAUNOMYCINA110D0.92
DM1DAUNOMYCINA1D110.92
DM1DAUNOMYCINA427D0.92
DM1DAUNOMYCINA2D340.92
DM1DAUNOMYCINA3F8F0.92
DM1DAUNOMYCINA1D100.92
DM1DAUNOMYCINA1DA00.92
CHRNEOCARZINOSTATIN-CHROMOPHOREA1O5P0.83
CHRNEOCARZINOSTATIN-CHROMOPHOREA,B1NCO0.83
RUTRUTINA,B1RY80.72
BNRBIS-DAUNORUBICINB1AMD0.89
INX2-(CARBOXYMETHOXY)-5-[(2S)-2-({(2S)-
2-[(3-CARBOXYPROPANOYL)AMINO] -
3-PHENYLPROPANOYL}AMINO)-3-OXO-
3-(PENTYLAMINO)PROPYL]BENZOIC ACID		A1G7G0.73
DM36-DEOXYDAUNOMYCINA1D140.91
AI1N-BENZYL-3-(ALPHA-D-GALACTOS-1-
YL)-BENZAMIDE		D,E,F,G,H,L,
M,N,O,P		1FD70.74
NGPNOGALAMYCIN (PROTONATED FORM)A1L0R0.89
NLX(5A,17R)-4,5-EPOXY-3,14-DIHYDROXY-
17-METHYL-6-OXO-17-(2-PROPENYL)-
MORPHINANIUM		A,B,C,D,E,F,
G,H,I,J,K,L		1MX90.71
NGMNOGALAMYCINA,B,C,D258D0.89
NGMNOGALAMYCINA282D0.89
NGMNOGALAMYCINA,B224D0.89
NGMNOGALAMYCINA,B245D0.89
NGMNOGALAMYCINA,B1QCH0.89
NGMNOGALAMYCINA1D170.89
NGMNOGALAMYCINA,B1D210.89
NGMNOGALAMYCINA,B182D0.89
BDA4-METHYLBENZYL-N-BIS[DAUNOMYCIN]A1AL90.91
BDA4-METHYLBENZYL-N-BIS[DAUNOMYCIN]A1AGL0.91
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
MAR4'-EPI-4'-(2-DEOXYFUCOSE)DAUNOMYCINA1D360.91
MAR4'-EPI-4'-(2-DEOXYFUCOSE)DAUNOMYCINA1R680.91
MAR4'-EPI-4'-(2-DEOXYFUCOSE)DAUNOMYCINA1D350.91
GGTTrioxacarcin AA,B3C2J0.73
NCZ2-HYDROXY-7-METHOXY-5-METHYL-NAPHTHALENE-
1-CARBOXYLIC ACID MESO-2,5-DIHYDROXY-
CYCLOPENT-3-ENYL ESTER		A1J5I0.71
CCICALICHEAMICIN GAMMA-1-IB1QMS0.73
DZNDAIDZINA,B,C,D,E,F,
G,H		2VLE0.75
S2AA2OEY0.81
VAGVANCOMYCIN AGLYCONA1GHG0.7
AKYA,B,C,D2IPI0.85
DM5IDARUBICINA,B,D198D0.89
DM5IDARUBICINA1D380.89
DM5IDARUBICINA1D670.89
BA1BALANOLA1BX60.77
485[2-AMINO-3-(4-HYDROXY-PHENYL)-PROPIONYLAMINO]-
(3,4,5-TRIHYDROXY-6-METHYL-TETRAHYDRO-
PYRAN-2-YL)- ACETIC ACID		A1JIL0.71
9412-(4-{2-TERT-BUTOXYCARBONYLAMINO-
2-[4-(3-HYDROXY-2-METHOXYCARBONYL-
PHENOXY)-BUTYLCARBAMOYL]-ETHYL}-
PHENOXY)-MALONIC ACID		A1PYN0.72
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		A1LF30.75