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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00806580

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
4BS4-amino-N-[4-(benzyloxy)phenyl]butanamideA3CHR0.73
TAX(Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)-
PHENOXY]-N,N-DIMETHYLETHANAMINIUM		A1FJ50.94
SNP1-(ISOPROPYLAMINO)-3-(1-NAPHTHYLOXY)-
2-PROPANOL		A1DY40.8
5RM(5R)-5-(4-methoxy-3-propoxyphenyl)-
5-methyl-1,3-oxazolidin-2-one		A,B1XM60.72
TON2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOLA,B1SEZ0.74
DRRA,B3BXR0.74
4BR2-(4-METHYLPHENOXY)ETHYLPHOSPHINATEA1PE70.72
DR6ALPHA-[4-(1,1,3,3 - TETRAMETHYLBUTYL)PHENYL]-
OMEGA-HYDROXY-POLY(OXY-1,2-ETHANEDIYL)		C,I,T1YTZ0.71
MTJN,O-DIMETHYL-L-TYROSINEA,B1ATL0.73
ZHH2-(4-METHOXYPHENYL)ETHANAMINED,H2HKR0.8
11N1-[1'-(3-phenylacryloyl)spiro[1-
benzofuran-3,4'-piperidin]-5-yl]methanamine		A,B,C,D2ZEC0.73
T333,3'-DEIODO-THYROXINEA,B1THA0.71
4BGN-[4-(benzyloxy)phenyl]glycinamideA3CHO0.72
CM4(2R,3R,4S)-3-(4-HYDROXYPHENYL)-
4-METHYL-2-[4-(2-PYRROLIDIN-1-YLETHOXY)PHENYL]CHROMAN-
6-OL		A1YIM0.73
JT63-[(4'-cyanobiphenyl-4-yl)oxy]-
N-hydroxypropanamide		A2JT60.74
AGGTIROFIBANA,B2VDM0.7
HA26-[{(2S)-2-AMINO-3-[4-(BENZYLOXY)PHENYL]PROPYL}(HYDROXY)AMINO]-
6-OXOHEXANOIC ACID)		A2VJ80.74
PI7N-[3-(8-SEC-BUTYL-7,10-DIOXO-2-
OXA-6,9-DIAZA-BICYCLO[11.2.2] HEPTADECA-
1(16),13(17),14-TRIEN-11-YAMINO)-
2-HYDROXY-1-(4-HYDROXY-BENZYL) -
PROPYL]-3-METHYL-2-PROPIONYLAMINO-
BUTYRAMIDE		A,B1B6P0.72
TF52-[(2',3',4'-TRIFLUOROBIPHENYL-
2-YL)OXY]ETHANOL		A,B2OP30.73
OXNOXTOXYNOL-10A1IKT0.72
OXNOXTOXYNOL-10A,B2Q320.72
OXNOXTOXYNOL-10A,B1UEH0.72
OXNOXTOXYNOL-10A,B2D4Q0.72
DID4,4'[1,6-HEXANEDIYLBIS(OXY)]BISBENZENECARBOXIMIDAMIDEA,B,C,D1RPW0.75
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG20.7
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG10.7
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RH00.7
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGU0.7
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGT0.7
4SR(4S)-4-[3-(CYCLOPENTYLOXY)-4-METHOXYPHENYL]PYRROLIDIN-
2-ONE		A,B1XN00.71
EGC2-(2-{2-[2-(2-{2-[2-(2-{2-[4-(1,1,3,3-
TETRAMETHYL-BUTYL)-PHENOXY]-ETHOXY}-
ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-
ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL		A,B1JP30.72
EGC2-(2-{2-[2-(2-{2-[2-(2-{2-[4-(1,1,3,3-
TETRAMETHYL-BUTYL)-PHENOXY]-ETHOXY}-
ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-
ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL		A2W220.72
2TN2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDEA2OTF0.75
2TN2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDEA2NUV0.75
2TN2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDEA2OUB0.75
XX62-{[(2R)-2-HYDROXY-3-(9-PHENANTHRYLOXY)PROPYL]AMINO}PROPANE-
1,3-DIOL		A2V3I0.78
XX72-{[(2S)-2-HYDROXY-3-(9-PHENANTHRYLOXY)PROPYL]AMINO}PROPANE-
1,3-DIOL		A2V3R0.78
LY22-MORPHOLIN-4-YL-7-PHENYL-4H-CHROMEN-
4-ONE		A1YI30.7
LY22-MORPHOLIN-4-YL-7-PHENYL-4H-CHROMEN-
4-ONE		A1E7V0.7
SAG(S)-(+)-2-[4-(FLUOROBENZYLOXY-BENZYLAMINO)PROPIONAMIDE]A,B2V5Z0.75
CM3(2R,3R,4S)-5-FLUORO-3-(4-HYDROXYPHENYL)-
4-METHYL-2-[4-(2-PIPERIDIN-1-YLETHOXY)PHENYL]CHROMAN-
6-OL		A1YIN0.71
DRS(9S,12S)-9-(1-methylethyl)-7,10-
dioxo-2-oxa-8,11-diazabicyclo[12.2.2]octadeca-
1(16),14,17-triene-12-carboxylic acid		A,B3BXS0.72
GMN2,2',2"-[1,2,3-BENZENE-TRIYLTRIS(OXY)]TRIS[N,N,N-
TRIETHYLETHANAMINIUM]		A,B1N5M0.71
OHT4-HYDROXYTAMOXIFENA3ERT0.85
OHT4-HYDROXYTAMOXIFENA,B1S9Q0.85
OHT4-HYDROXYTAMOXIFENA,B1VJB0.85
OHT4-HYDROXYTAMOXIFENA,B,C,P,R2JF90.85
OHT4-HYDROXYTAMOXIFENA,B,C,D,E,F2GPV0.85
OHT4-HYDROXYTAMOXIFENA2GPU0.85
OHT4-HYDROXYTAMOXIFENA2P7Z0.85
OHT4-HYDROXYTAMOXIFENA,B2BJ40.85
OHT4-HYDROXYTAMOXIFENA,B2FSZ0.85
PET1,5-DI(4-AMIDINOPHENOXY)-3-OXA-
PENTANE		B166D0.74
ROLROLIPRAMA,B,C,D1OYN0.71
ROLROLIPRAMA,B1XMY0.71
ROLROLIPRAMA,B,C,D1Q9M0.71
ROLROLIPRAMA,B1RO60.71
ROLROLIPRAMA,B1XN00.71
ROLROLIPRAMA,B1TBB0.71
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGT0.7
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG20.7
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B2AN40.7
TNT1,3-BIS(AMIDINOPHENOXY)PROPANEB102D0.75
TNT1,3-BIS(AMIDINOPHENOXY)PROPANEA1PRP0.75
DPDA,B1QIW0.76
DPDA1QIV0.76
C187-[(3-CHLOROBENZYL)OXY]-4-[(METHYLAMINO)METHYL]-
2H-CHROMEN-2-ONE		A,B2V610.71
505(2R)-1-(2,6-dimethylphenoxy)propan-
2-amine		A2VIN0.84
R88(4-BROMOPHENYL)[4-({(2E)-4-[CYCLOPROPYL(METHYL)AMINO]BUT-
2-ENYL}OXY)PHENYL]METHANONE		A,B,C1H360.71
P14N-[2-(2-{[(4-{[AMINO(IMINO)METHYL]AMINO}BUTYL)AMINO]METHYL}-
4-METHOXYPHENOXY)ETHYL]GUANIDINE		B1UUD0.77
CMZ(2S)-1-(2,5-dimethylphenoxy)-3-
morpholin-4-ylpropan-2-ol		A2OF00.77
PI6[1-BENZYL-3-(8-SEC-BUTYL-7,10-DIOXO-
2-OXA-6,9-DIAZA-BICYCLO[11.2.2] HEPTADECA-
1(16),13(17),14-TRIEN-11-YLAMINO)-
2-HYDROXY-PROPYL] -CARBAMIC ACID TERT-
BUTYL ESTER		A,B1B6M0.71
HV8BENZYL-2-AMINO-PARAMETHOXY-BENZYLSTATINEC1A8G0.72
CTX(Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)-
PHENOXY]-N,N-DIMETHYLETHANAMINE		A,B,C1YA40.9
TRTFRAGMENT OF TRITON X-100A,E2I0U0.75
TRTFRAGMENT OF TRITON X-100A,B1OIZ0.75
SFX(3S)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-
1-amine		A3GWW0.87
YR3(2S)-3-{4-[1-ethyl-1-(4-{[(2R)-
2-hydroxy-3,3-dimethylbutyl]oxy}-
3-methylphenyl)propyl]-2-methylphenoxy}propane-
1,2-diol		A2ZFX0.72
D242,5-BIS-[4-[CYCLOPENTA-1,3-DIEN-
5-YLAMINO-1-AMINOMETHYL]-PHEN-1-
YL]FURAN		B1EEL0.7
ZHZ2-(4-METHOXYPHENYL)ACETAMIDED,H2HKR0.71
RFX(3R)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-
1-amine		A3GWV0.87
0EZtert-butyl [(1S,2S)-1-benzyl-2-
hydroxy-3-{[(8S,11R)-8-[(1R)-1-
methylpropyl]-7,10-dioxo-2-oxa-
6,9-diazabicyclo[11.2.2]heptadeca-
1(15),13,16-trien-11-yl]amino}propyl]carbamate		A,B1MTR0.71
AED4-(2-aminoethyl)-2-cyclohexylphenolA3BUH0.72
3AC(2E)-3-{3-[(5-ETHYL-3-IODO-6-METHYL-
2-OXO-1,2-DIHYDROPYRIDIN-4-YL)OXY]PHENYL}ACRYLONITRILE		A2B5J0.71
EINA1ZS00.72
TF3N-(2-AMINOETHYL)-2-{3-CHLORO-4-
[(4-ISOPROPYLBENZYL)OXY]PHENYL} ACETAMIDE		A2BU70.71
8PS5-OCTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B370.72
C3D(5R,6S)-6-PHENYL-5-[4-(2-PYRROLIDIN-
1-YLETHOXY)PHENYL]-5,6,7,8-TETRAHYDRONAPHTHALEN-
2-OL		A2OUZ0.78
2NIN-{2-[(4'-CYANO-1,1'-BIPHENYL-4-
YL)OXY]ETHYL}-N'-HYDROXY-N-METHYLUREA		A1ZP50.8
5PP5-PENTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B360.72
D182,5-BIS{[4-(N-ISOPROPYL)DIAMINOMETHYL]PHENYL}FURANB298D0.71
SB82-(3-BENZOYLPHENOXY)ETHYL(HYDROXY)FORMAMIDEA2AIA0.74
FINA1ZVX0.72
RNP(1E,2R)-1-(ISOPROPYLIMINO)-3-(1-
NAPHTHYLOXY)PROPAN-2-OL		X1H460.71
PNT1,5-BIS(4-AMIDINOPHENOXY)PENTANEX3CR40.74
PNT1,5-BIS(4-AMIDINOPHENOXY)PENTANEB1D640.74
PNT1,5-BIS(4-AMIDINOPHENOXY)PENTANEX3CR50.74
PNT1,5-BIS(4-AMIDINOPHENOXY)PENTANEA,B,D,E1RKW0.74
R71[4-({6-[ALLYL(METHYL)AMINO]HEXYL}OXY)-
2-FLUOROPHENYL](4-BROMOPHENYL)METHANONE		A1W6J0.71
R71[4-({6-[ALLYL(METHYL)AMINO]HEXYL}OXY)-
2-FLUOROPHENYL](4-BROMOPHENYL)METHANONE		A,B,C1GSZ0.71
BR3(6-METHYL-3,4-DIHYDRO-2H-CHROMEN-
2-YL)METHYLPHOSPHINATE		A1PE50.71
D192,5-BIS{[4-(N-CYCLOPROPYLDIAMINOMETHYL)PHENYL]}FURANA289D0.7
TXF(Z)-4-(1-{4-[2-(DIMETHYLAMINO)ETHOXY]PHENYL}-
5-HYDROXY-2-PHENYLPENT-1-ENYL)PHENOL		A,B,C,D,E2EWP0.84
P124-[AMINO(IMINO)METHYL]-1-[2-(3-
AMMONIOPROPOXY)-5-METHOXYBENZYL]PIPERAZIN-
1-IUM		B1UUI0.73
PI5N-[3-(8-SEC-BUTYL-7,10-DIOXO-2-
OXA-6,9-DIAZA-BICYCLO[11.2.2]HEPTADECA-
1(16),13(17),14- TRIEN-11-YLAMINO)-
2-HYDROXY-1-(4-HYDROXY-BENZYL)-
PROPYL]-3-METHYL-2- (2-OXO-PYRROLIDIN-
1-YL)-BUTYRAMIDE		A,B1B6K0.7
Y124-{(1E)-3-OXO-3-[(2-PHENYLETHYL)AMINO]PROP-
1-EN-1-YL}-1,2-PHENYLENE DIACETATE		A2EW50.75
2PMN-[2-(BENZHYDRYLOXY)ETHYL]-N,N-
DIMETHYLAMINE		A,B2AOT0.79
DCH3-(7-DIAMINOMETHYL-NAPHTHALEN-2-
YL)-PROPIONIC ACID ETHYL ESTER		H1UVU0.74
PZM1-(4-METHOXYPHENYL)METHANAMINEA,D,H2HJB0.77
BHP(S)-5-(4-BENZYLOXY-PHENYL)-4-(7-
PHENYL-HEPTANOYLAMINO)-PENTANOIC ACID		A,B1J1A0.75
ANMANISOMYCIN1,2,4,A,B,C,
D,E,J,K,L,M,
N,O,P,R,S,T,
U,V,Z		1K730.75
ANMANISOMYCIN0,1,3,9,A,B,
C,F,H,J,K,L,
M,N,O,Q,R,S,
T,U,Y,Z		3CC40.75