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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00532904

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
TXF(Z)-4-(1-{4-[2-(DIMETHYLAMINO)ETHOXY]PHENYL}-
5-HYDROXY-2-PHENYLPENT-1-ENYL)PHENOL		A,B,C,D,E2EWP0.81
2682-phenoxyethanolA2RBR0.7
TRTFRAGMENT OF TRITON X-100A,E2I0U0.77
TRTFRAGMENT OF TRITON X-100A,B1OIZ0.77
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG20.73
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG10.73
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RH00.73
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGU0.73
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGT0.73
ZHH2-(4-METHOXYPHENYL)ETHANAMINED,H2HKR0.83
AEH4-(2-aminoethyl)-2-ethylphenolA3BUG0.74
P14N-[2-(2-{[(4-{[AMINO(IMINO)METHYL]AMINO}BUTYL)AMINO]METHYL}-
4-METHOXYPHENOXY)ETHYL]GUANIDINE		B1UUD0.73
AED4-(2-aminoethyl)-2-cyclohexylphenolA3BUH0.76
TON2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOLA,B1SEZ0.75
XX72-{[(2S)-2-HYDROXY-3-(9-PHENANTHRYLOXY)PROPYL]AMINO}PROPANE-
1,3-DIOL		A2V3R0.74
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,B1JP30.73
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		A2W220.73
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGT0.73
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG20.73
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B2AN40.73
STH2-AMINO-4H-1,3-BENZOXATHIIN-4-OLA,B,C,D1XKL0.72
XX62-{[(2R)-2-HYDROXY-3-(9-PHENANTHRYLOXY)PROPYL]AMINO}PROPANE-
1,3-DIOL		A2V3I0.74
CTX(Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)-
PHENOXY]-N,N-DIMETHYLETHANAMINE		A,B,C1YA40.87
DID4,4'[1,6-HEXANEDIYLBIS(OXY)]BISBENZENECARBOXIMIDAMIDEA,B,C,D1RPW0.75
ZHZ2-(4-METHOXYPHENYL)ACETAMIDED,H2HKR0.73
B76A,B2E9D0.72
I0G(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-
1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-
8-OL		A,B2I0G0.72
I0G(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-
1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-
8-OL		A,B,C,D2I0J0.72
T443,5,3',5'-TETRAIODO-L-THYRONINEX1Y0X0.72
T443,5,3',5'-TETRAIODO-L-THYRONINEA1HK10.72
T443,5,3',5'-TETRAIODO-L-THYRONINEC,D1ICT0.72
T443,5,3',5'-TETRAIODO-L-THYRONINEA2RIW0.72
T443,5,3',5'-TETRAIODO-L-THYRONINEA,B2ROX0.72
T443,5,3',5'-TETRAIODO-L-THYRONINEA,B1IE40.72
T443,5,3',5'-TETRAIODO-L-THYRONINE1,21ETB0.72
T443,5,3',5'-TETRAIODO-L-THYRONINE1,21ETA0.72
T443,5,3',5'-TETRAIODO-L-THYRONINEA,B,C1SN00.72
T443,5,3',5'-TETRAIODO-L-THYRONINEA,B2CEO0.72
T443,5,3',5'-TETRAIODO-L-THYRONINEA,B1F860.72
T443,5,3',5'-TETRAIODO-L-THYRONINEA1HK40.72
T443,5,3',5'-TETRAIODO-L-THYRONINEA1HK20.72
T443,5,3',5'-TETRAIODO-L-THYRONINEA1HK50.72
T443,5,3',5'-TETRAIODO-L-THYRONINEA1HK30.72
MTJN,O-DIMETHYL-L-TYROSINEA,B1ATL0.7
4BS4-amino-N-[4-(benzyloxy)phenyl]butanamideA3CHR0.7
OXNOXTOXYNOL-10A1IKT0.73
OXNOXTOXYNOL-10A,B2Q320.73
OXNOXTOXYNOL-10A,B1UEH0.73
OXNOXTOXYNOL-10A,B2D4Q0.73
GRR(2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acidA3CDS0.71
SAG(S)-(+)-2-[4-(FLUOROBENZYLOXY-BENZYLAMINO)PROPIONAMIDE]A,B2V5Z0.75
MBSA,B1HY70.71
PET1,5-DI(4-AMIDINOPHENOXY)-3-OXA-
PENTANE		B166D0.74
2NIN-{2-[(4'-CYANO-1,1'-BIPHENYL-4-
YL)OXY]ETHYL}-N'-HYDROXY-N-METHYLUREA		A1ZP50.77
DPDA,B1QIW0.71
DPDA1QIV0.71
TNT1,3-BIS(AMIDINOPHENOXY)PROPANEB102D0.75
TNT1,3-BIS(AMIDINOPHENOXY)PROPANEA1PRP0.75
TAX(Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)-
PHENOXY]-N,N-DIMETHYLETHANAMINIUM		A1FJ50.9
RNP(1E,2R)-1-(ISOPROPYLIMINO)-3-(1-
NAPHTHYLOXY)PROPAN-2-OL		X1H460.73
SFX(3S)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-
1-amine		A3GWW0.84
PZM1-(4-METHOXYPHENYL)METHANAMINEA,D,H2HJB0.79
4BR2-(4-METHYLPHENOXY)ETHYLPHOSPHINATEA1PE70.75
505(2R)-1-(2,6-dimethylphenoxy)propan-
2-amine		A2VIN0.92
2PMN-[2-(BENZHYDRYLOXY)ETHYL]-N,N-
DIMETHYLAMINE		A,B2AOT0.77
CMZ(2S)-1-(2,5-dimethylphenoxy)-3-
morpholin-4-ylpropan-2-ol		A2OF00.77
WST(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-
1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-
9-OL		A,B2POG0.72
HA26-[{(2S)-2-AMINO-3-[4-(BENZYLOXY)PHENYL]PROPYL}(HYDROXY)AMINO]-
6-OXOHEXANOIC ACID)		A2VJ80.72
RFX(3R)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-
1-amine		A3GWV0.84
BHP(S)-5-(4-BENZYLOXY-PHENYL)-4-(7-
PHENYL-HEPTANOYLAMINO)-PENTANOIC ACID		A,B1J1A0.72
ANMANISOMYCIN1,2,4,A,B,C,
D,E,J,K,L,M,
N,O,P,R,S,T,
U,V,Z		1K730.72
ANMANISOMYCIN0,1,3,9,A,B,
C,F,H,J,K,L,
M,N,O,Q,R,S,
T,U,Y,Z		3CC40.72
BZFBENZOFURANA182L0.7
2TN2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDEA2OTF0.71
2TN2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDEA2NUV0.71
2TN2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDEA2OUB0.71
SB82-(3-BENZOYLPHENOXY)ETHYL(HYDROXY)FORMAMIDEA2AIA0.73
4BGN-[4-(benzyloxy)phenyl]glycinamideA3CHO0.71
Y124-{(1E)-3-OXO-3-[(2-PHENYLETHYL)AMINO]PROP-
1-EN-1-YL}-1,2-PHENYLENE DIACETATE		A2EW50.7
DR6ALPHA-[4-(1,1,3,3 - TETRAMETHYLBUTYL)PHENYL]-
OMEGA-HYDROXY-POLY(OXY-1,2-ETHANEDIYL)		C,I,T1YTZ0.72
COUCOUMARINA3CRB0.73
COUCOUMARINA2PMJ0.73
COUCOUMARINA2H900.73
COUCOUMARINA,B,C,D1Z100.73
COUCOUMARINA2PWB0.73
AEF4-(2-aminoethyl)phenolA3BRA0.73
P124-[AMINO(IMINO)METHYL]-1-[2-(3-
AMMONIOPROPOXY)-5-METHOXYBENZYL]PIPERAZIN-
1-IUM		B1UUI0.7
NOANAPHTHYLOXYACETIC ACIDA,B,I1HIV0.72
NOANAPHTHYLOXYACETIC ACIDI1IVP0.72
ZZ14-METHYL-2H-CHROMEN-2-ONEA2CIP0.74
JT63-[(4'-cyanobiphenyl-4-yl)oxy]-
N-hydroxypropanamide		A2JT60.76
EINA1ZS00.73
TF52-[(2',3',4'-TRIFLUOROBIPHENYL-
2-YL)OXY]ETHANOL		A,B2OP30.79
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
C3D(5R,6S)-6-PHENYL-5-[4-(2-PYRROLIDIN-
1-YLETHOXY)PHENYL]-5,6,7,8-TETRAHYDRONAPHTHALEN-
2-OL		A2OUZ0.74
FINA1ZVX0.73
SNP1-(ISOPROPYLAMINO)-3-(1-NAPHTHYLOXY)-
2-PROPANOL		A1DY40.78
BR3(6-METHYL-3,4-DIHYDRO-2H-CHROMEN-
2-YL)METHYLPHOSPHINATE		A1PE50.76
YR3(2S)-3-{4-[1-ethyl-1-(4-{[(2R)-
2-hydroxy-3,3-dimethylbutyl]oxy}-
3-methylphenyl)propyl]-2-methylphenoxy}propane-
1,2-diol		A2ZFX0.75
HV71-METHYLAMINE-2-HYDROXY-4-METHOXY-
BENZENE		C1A8G0.72
C4MN-[(2R,3S)-3-AMINO-2-HYDROXY-4-
PHENYLBUTYL]-4-METHOXY-2,3,6-TRIMETHYLBENZENESULFONAMIDE		B,I2C930.71
OHT4-HYDROXYTAMOXIFENA3ERT0.83
OHT4-HYDROXYTAMOXIFENA,B1S9Q0.83
OHT4-HYDROXYTAMOXIFENA,B1VJB0.83
OHT4-HYDROXYTAMOXIFENA,B,C,P,R2JF90.83
OHT4-HYDROXYTAMOXIFENA,B,C,D,E,F2GPV0.83
OHT4-HYDROXYTAMOXIFENA2GPU0.83
OHT4-HYDROXYTAMOXIFENA2P7Z0.83
OHT4-HYDROXYTAMOXIFENA,B2BJ40.83
OHT4-HYDROXYTAMOXIFENA,B2FSZ0.83
CM4(2R,3R,4S)-3-(4-HYDROXYPHENYL)-
4-METHYL-2-[4-(2-PYRROLIDIN-1-YLETHOXY)PHENYL]CHROMAN-
6-OL		A1YIM0.71
8PS5-OCTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B370.74
DBA(2,6-DIMETHYL-PHENOXY)-ACETIC ACIDA,B1IDB0.73
11N1-[1'-(3-phenylacryloyl)spiro[1-
benzofuran-3,4'-piperidin]-5-yl]methanamine		A,B,C,D2ZEC0.71
AHT4-(2,5-DIAMINO-5-HYDROXY-PENTYL)-
PHENOL		I,T1TMB0.73
AEG4-[(2R)-2-aminopropyl]phenolA3BUF0.72
5PP5-PENTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B360.74
T333,3'-DEIODO-THYROXINEA,B1THA0.73
258(2-chloroethoxy)benzeneX2RAY0.71
FLN2-PHENYL-4H-CHROMEN-4-ONEA2G0L0.71
SEM3-AMINO-4-OXYBENZYL-2-BUTANONEA,B1THE0.73