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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02434463

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
EB4N,N',N''-[(3S,7S,11S)-2,6,10-trioxo-
1,5,9-trioxacyclododecane-3,7,11-
triyl]tris(2,3-dihydroxybenzamide)		A,B,C3CMP0.7
TACTETRACYCLINEA,B,C,D,E,F,
G,H,I,J,K,L		2HDN0.72
TACTETRACYCLINEA2VKE0.72
TACTETRACYCLINEA2TRT0.72
TACTETRACYCLINEB2UXO0.72
TACTETRACYCLINEA,B,D,E,G,H,
J,K,L,N,P,Q,
R,T		1I970.72
TACTETRACYCLINEA,D,H,N1HNW0.72
TACTETRACYCLINEA,B2HCJ0.72
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
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
NODN-ETHYLHYDROXY-DOXORUBICINA385D0.98
MUS4-METHYL-2-OXO-2H-CHROMEN-7-YL 5-
(ACETYLAMINO)-3,5-DIDEOXY-L-ERYTHRO-
NON-2-ULOPYRANOSIDONIC ACID		A1S0J0.75
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
BMYBALHIMYCINA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,S		1GO60.71
BMYBALHIMYCINA,B,C,D,E,M1HHU0.71
CCGCALICHEAMICIN GAMMA-1A2GKC0.71
TDC5A,6-ANHYDROTETRACYCLINEA2VKV0.72
TDC5A,6-ANHYDROTETRACYCLINEA2VPR0.72
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
AKYA,B,C,D2IPI0.87
AI1N-BENZYL-3-(ALPHA-D-GALACTOS-1-
YL)-BENZAMIDE		D,E,F,G,H,L,
M,N,O,P		1FD70.76
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
TMSN-PROPYL-4-[(E)-2-(3,4,5-TRIMETHOXY-
PHENYL)-VINYL]-BENZAMIDE		A,B1X6W0.71
BA1BALANOLA1BX60.76
VANVANCOMYCINA1C0R0.71
VANVANCOMYCINA,B1SHO0.71
VANVANCOMYCINA,B1PNV0.71
VANVANCOMYCINA1C0Q0.71
VANVANCOMYCINA1QD80.71
VANVANCOMYCINA,B,C,D,E,F1FVM0.71
VANVANCOMYCINA1AA50.71
L41{4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenoxy}acetic acidA,B3D5F0.7
NGUU-58872, HYDROXY DERIVATIVE OF NOGALAMYCINA,B1D220.85
DRA11-DEOXY-BETA-RHODOMYCINA,B1XDS0.89
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
DM2DOXORUBICINA2DR60.94
DM2DOXORUBICINA1P200.94
DM2DOXORUBICINA1I1E0.94
DM2DOXORUBICINA151D0.94
DM2DOXORUBICINA1D120.94
DM2DOXORUBICINA1DA90.94
DM64'-EPIDOXORUBICINA1D150.94
DM64'-EPIDOXORUBICINA1D540.94
DM64'-EPIDOXORUBICINA1D580.94
DM64'-EPIDOXORUBICINA1QDA0.94
XX72-{[(2S)-2-HYDROXY-3-(9-PHENANTHRYLOXY)PROPYL]AMINO}PROPANE-
1,3-DIOL		A2V3R0.7
CS5N'-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-
2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}-
5-METHYL-N,N-DIPROPYLISOPHTHALAMIDE		A,B2QK50.7
DM41-O-DEMETHYL-6-DEOXYDOXORUBICINA1D370.91
AKT10-DECARBOXYMETHYLACLACINOMYCIN T (DCMAT)A1Q0R0.9
DM82'-BROMO-4'-EPIDAUNORUBICINA276D0.91
DM82'-BROMO-4'-EPIDAUNORUBICINA288D0.91
DM82'-BROMO-4'-EPIDAUNORUBICINA277D0.91
DM82'-BROMO-4'-EPIDAUNORUBICINA,B380D0.91
DM82'-BROMO-4'-EPIDAUNORUBICINA,B381D0.91
DM82'-BROMO-4'-EPIDAUNORUBICINA278D0.91
DM9N-HYDROXYMETHYL-N-(2-METHOXYETHYL)-
DAUNOMYCIN		A482D0.87
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
BNRBIS-DAUNORUBICINB1AMD0.88
INX2-(CARBOXYMETHOXY)-5-[(2S)-2-({(2S)-
2-[(3-CARBOXYPROPANOYL)AMINO] -
3-PHENYLPROPANOYL}AMINO)-3-OXO-
3-(PENTYLAMINO)PROPYL]BENZOIC ACID		A1G7G0.76
C40N-[(2R,4S,5S,7R)-4-AMINO-8-(BUTYLAMINO)-
5-HYDROXY-2,7-DIMETHYL-8-OXOOCTYL]-
2-(3-METHOXYPROPOXY)BENZAMIDE		A2V130.71
DM1DAUNOMYCINA152D0.94
DM1DAUNOMYCINA,B,C,D1O0K0.94
DM1DAUNOMYCINA1JO20.94
DM1DAUNOMYCINA,B308D0.94
DM1DAUNOMYCINA1D330.94
DM1DAUNOMYCINA110D0.94
DM1DAUNOMYCINA1D110.94
DM1DAUNOMYCINA427D0.94
DM1DAUNOMYCINA2D340.94
DM1DAUNOMYCINA3F8F0.94
DM1DAUNOMYCINA1D100.94
DM1DAUNOMYCINA1DA00.94
CCICALICHEAMICIN GAMMA-1-IB1QMS0.72
DM5IDARUBICINA,B,D198D0.91
DM5IDARUBICINA1D380.91
DM5IDARUBICINA1D670.91
4292-{4-[2-ACETYLAMINO-3-(4-CARBOXYMETHOXY-
3-HYDROXY-PHENYL)-PROPIONYLAMINO]-
BUTOXY}-6-HYDROXY-BENZOIC ACID METHYL ESTER		A1QXK0.73
AAY8-[2-((2S)-4-HYDROXY-1-{[5-(HYDROXYMETHYL)-
6-METHOXY-2-NAPHTHYL]METHYL}-6-
OXOPIPERIDIN-2-YL)ETHYL]-3,7-DIMETHYL-
1,2,3,7,8,8A-HEXAHYDRONAPHTHALEN-
1-YL 2-METHYLBUTANOATE		A,B1XDD0.71
TBH5-(2-{2-[(TERT-BUTOXY-HYDROXY-METHYL)-
AMINO]-1-HYDROXY-3-PHENYL-PROPYLAMINO}-
3-HYDROXY-3-PENTYLAMINO-PROPYL)-
2-CARBOXYMETHOXY-BENZOIC ACID		B1JF70.77
9412-(4-{2-TERT-BUTOXYCARBONYLAMINO-
2-[4-(3-HYDROXY-2-METHOXYCARBONYL-
PHENOXY)-BUTYLCARBAMOYL]-ETHYL}-
PHENOXY)-MALONIC ACID		A1PYN0.75
HEHHEDAMYCINA1JHI0.82
L013-[({(1S,2R)-1-BENZYL-2-HYDROXY-
3-[(3-METHOXYBENZYL)AMINO]PROPYL}AMINO)(HYDROXY)METHYL]-
N,N-DIPROPYLBENZAMIDE		A1W510.71
TA1TAXOLA,B1JFF0.75
TA1TAXOLA,B,C2HXH0.75
TA1TAXOLA,B,N3DCO0.75
TA1TAXOLA,B,K2P4N0.75
TA1TAXOLA,B,D,F,G3EDL0.75
TA1TAXOLA,B,C2HXF0.75
TA1TAXOLA,B,C2WBE0.75
B8L3-[(3-SEC-BUTYL-4-HYDROXYBENZOYL)AMINO]AZEPAN-
4-YL 4-(2-HYDROXY-5-METHOXYBENZOYL)BENZOATE		A1REK0.76
DM36-DEOXYDAUNOMYCINA1D140.93
GUM4-METHYL-UMBELLIFERYL-N-ACETYL-
CHITOBIOSE		A1BB70.73
NCSB1KVH0.78
NCSA2NEO0.78
MNGMENOGARILA,B202D0.87
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
CMD3'-DESAMINO-3'-(3-CYANO-4-MORPHOLINYL)-
DOXORUBICIN		A236D0.91
PCYPACTAMYCINA,D,H,N1HNX0.7
MAR4'-EPI-4'-(2-DEOXYFUCOSE)DAUNOMYCINA1D360.93
MAR4'-EPI-4'-(2-DEOXYFUCOSE)DAUNOMYCINA1R680.93
MAR4'-EPI-4'-(2-DEOXYFUCOSE)DAUNOMYCINA1D350.93
7CA5,7-DIHYDROXY-2-(4-METHOXYPHENYL)-
8-(3-METHYLBUTYL)-4-OXO-4H-CHROMEN-
3-YL 6-DEOXY-ALPHA-L-MANNOPYRANOSIDE		A2H440.76
NGPNOGALAMYCIN (PROTONATED FORM)A1L0R0.85
DBLDEGLUCOBALHIMYCINA,B,C,P1HHZ0.71
DBLDEGLUCOBALHIMYCINA,B,N,P1HHY0.71
TXLTAXOTEREA,B,K1IA00.73
TXLTAXOTEREA,B1TUB0.73
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
DBON-{(1S,2R)-1-BENZYL-2-HYDROXY-3-
[(3-METHYLBENZYL)AMINO]PROPYL}DIBENZO[B,F]OXEPINE-
10-CARBOXAMIDE		A,B,C,D2EWY0.71
CHRNEOCARZINOSTATIN-CHROMOPHOREA1O5P0.81
CHRNEOCARZINOSTATIN-CHROMOPHOREA,B1NCO0.81
DM74'-DEOXY-4'-IODODOXORUBICINA1IMR0.9
DM74'-DEOXY-4'-IODODOXORUBICINA1IMS0.9
S2AA2OEY0.79
BDA4-METHYLBENZYL-N-BIS[DAUNOMYCIN]A1AL90.91
BDA4-METHYLBENZYL-N-BIS[DAUNOMYCIN]A1AGL0.91
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
AP1{3-[3-(3,4-DIMETHOXY-PHENYL)-1-
(1-{1-[2-(3,4,5-TRIMETHOXY-PHENYL)-
BUTYRYL]-PIPERIDIN-2YL}-VINYLOXY)-
PROPYL]-PHENOXY}-ACETIC ACID		A,B1BL40.71
AKA10-DECARBOXYMETHYLACLACINOMYCIN A (DCMAA)A1Q0Z0.89
NCZ2-HYDROXY-7-METHOXY-5-METHYL-NAPHTHALENE-
1-CARBOXYLIC ACID MESO-2,5-DIHYDROXY-
CYCLOPENT-3-ENYL ESTER		A1J5I0.71
UMGMETHYL-UMBELLIFERTL-N-ACETYL-CHITOTRIOSEA1BB60.72
DVVDESVANCOSAMINYL VANCOMYCINA,B1PN30.72
DVVDESVANCOSAMINYL VANCOMYCINA,B1RRV0.72
RUTRUTINA,B1RY80.74
DZNDAIDZINA,B,C,D,E,F,
G,H		2VLE0.75
BD23-[(4-HYDROXYBENZOYL)AMINO]AZEPAN-
4-YL 4-(2-HYDROXYBENZOYL)BENZOATE		A1RE80.71
E3GESTRONE BETA-D-GLUCURONIDEH,L1CFV0.71
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
NOVNOVOBIOCINA,B1KIJ0.75
NOVNOVOBIOCINA,B1S140.75
NOVNOVOBIOCINA1AJ60.75
NCGA1MP70.78
GGTTrioxacarcin AA,B3C2J0.75
STGESTRIOL 3-(B-D-GLUCURONIDE)H2BFV0.7
STGESTRIOL 3-(B-D-GLUCURONIDE)H,L1BFV0.7