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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00466151

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
258(2-chloroethoxy)benzeneX2RAY0.74
MTJN,O-DIMETHYL-L-TYROSINEA,B1ATL0.75
5PP5-PENTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B360.71
8PS5-OCTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B370.71
TF52-[(2',3',4'-TRIFLUOROBIPHENYL-
2-YL)OXY]ETHANOL
A,B2OP30.74
FIL(1E)-1-[3-(CYCLOPENTYLOXY)-4-METHOXYPHENYL]ETHANONE O-
(AMINOCARBONYL)OXIME
A,B1XLZ0.72
2PMN-[2-(BENZHYDRYLOXY)ETHYL]-N,N-
DIMETHYLAMINE
A,B2AOT0.73
P14N-[2-(2-{[(4-{[AMINO(IMINO)METHYL]AMINO}BUTYL)AMINO]METHYL}-
4-METHOXYPHENOXY)ETHYL]GUANIDINE
B1UUD0.73
JT63-[(4'-cyanobiphenyl-4-yl)oxy]-
N-hydroxypropanamide
A2JT60.73
MR11-(1,3-BENZODIOXOL-5-YL)METHANAMINEA2ORQ0.73
EUG2-METHOXY-4-VINYL-PHENOLA2QU90.73
EUG2-METHOXY-4-VINYL-PHENOLA,B1QLU0.73
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1J0.73
EUG2-METHOXY-4-VINYL-PHENOLA,B2VAO0.73
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1K0.73
EUG2-METHOXY-4-VINYL-PHENOLA,B1DZN0.73
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1L0.73
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1M0.73
FLTFLUOROMALONYL TYROSINEI1BZH0.71
POT(1S)-1-(PHENOXYMETHYL)PROPYL METHYLPHOSPHONOCHLORIDOATEA2NW60.71
YR3(2S)-3-{4-[1-ethyl-1-(4-{[(2R)-
2-hydroxy-3,3-dimethylbutyl]oxy}-
3-methylphenyl)propyl]-2-methylphenoxy}propane-
1,2-diol
A2ZFX0.71
SEM3-AMINO-4-OXYBENZYL-2-BUTANONEA,B1THE0.76
2NIN-{2-[(4'-CYANO-1,1'-BIPHENYL-4-
YL)OXY]ETHYL}-N'-HYDROXY-N-METHYLUREA
A1ZP50.75
TAX(Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)-
PHENOXY]-N,N-DIMETHYLETHANAMINIUM
A1FJ50.87
505(2R)-1-(2,6-dimethylphenoxy)propan-
2-amine
A2VIN0.91
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,B1JP30.75
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
A2W220.75
TXF(Z)-4-(1-{4-[2-(DIMETHYLAMINO)ETHOXY]PHENYL}-
5-HYDROXY-2-PHENYLPENT-1-ENYL)PHENOL
A,B,C,D,E2EWP0.79
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
AEG4-[(2R)-2-aminopropyl]phenolA3BUF0.76
OXNOXTOXYNOL-10A1IKT0.75
OXNOXTOXYNOL-10A,B2Q320.75
OXNOXTOXYNOL-10A,B1UEH0.75
OXNOXTOXYNOL-10A,B2D4Q0.75
TON2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOLA,B1SEZ0.77
GMN2,2',2"-[1,2,3-BENZENE-TRIYLTRIS(OXY)]TRIS[N,N,N-
TRIETHYLETHANAMINIUM]
A,B1N5M0.71
SAG(S)-(+)-2-[4-(FLUOROBENZYLOXY-BENZYLAMINO)PROPIONAMIDE]A,B2V5Z0.74
DID4,4'[1,6-HEXANEDIYLBIS(OXY)]BISBENZENECARBOXIMIDAMIDEA,B,C,D1RPW0.74
2682-phenoxyethanolA2RBR0.74
296(3R)-3-amino-2,2-difluoro-3-(4-
methoxyphenyl)propanoic acid
A,B2RJS0.71
EPTHEPTANYL-P-PHENOLA,B1AHZ0.7
PET1,5-DI(4-AMIDINOPHENOXY)-3-OXA-
PENTANE
B166D0.73
TNT1,3-BIS(AMIDINOPHENOXY)PROPANEB102D0.73
TNT1,3-BIS(AMIDINOPHENOXY)PROPANEA1PRP0.73
COUCOUMARINA3CRB0.71
COUCOUMARINA2PMJ0.71
COUCOUMARINA2H900.71
COUCOUMARINA,B,C,D1Z100.71
COUCOUMARINA2PWB0.71
FINA1ZVX0.7
STH2-AMINO-4H-1,3-BENZOXATHIIN-4-OLA,B,C,D1XKL0.71
HV71-METHYLAMINE-2-HYDROXY-4-METHOXY-
BENZENE
C1A8G0.75
TRTFRAGMENT OF TRITON X-100A,E2I0U0.79
TRTFRAGMENT OF TRITON X-100A,B1OIZ0.79
EINA1ZS00.7
LDPL-DOPAMINEA,B2A3R0.71
LDPL-DOPAMINEA5PAH0.71
LDPL-DOPAMINEA,B2QMZ0.71
LDPL-DOPAMINEA,B2VQ50.71
AED4-(2-aminoethyl)-2-cyclohexylphenolA3BUH0.72
T333,3'-DEIODO-THYROXINEA,B1THA0.72
SNP1-(ISOPROPYLAMINO)-3-(1-NAPHTHYLOXY)-
2-PROPANOL
A1DY40.74
3AC(2E)-3-{3-[(5-ETHYL-3-IODO-6-METHYL-
2-OXO-1,2-DIHYDROPYRIDIN-4-YL)OXY]PHENYL}ACRYLONITRILE
A2B5J0.71
ETY4-ethylphenolA,B,C,D2RA60.72
Y124-{(1E)-3-OXO-3-[(2-PHENYLETHYL)AMINO]PROP-
1-EN-1-YL}-1,2-PHENYLENE DIACETATE
A2EW50.7
2612-ethoxyphenolX2RB10.71
C3D(5R,6S)-6-PHENYL-5-[4-(2-PYRROLIDIN-
1-YLETHOXY)PHENYL]-5,6,7,8-TETRAHYDRONAPHTHALEN-
2-OL
A2OUZ0.7
5RM(5R)-5-(4-methoxy-3-propoxyphenyl)-
5-methyl-1,3-oxazolidin-2-one
A,B1XM60.71
TYBTYROSINALA,B1KDZ0.7
TYBTYROSINALA1Q110.7
TYBTYROSINALA,B2J5B0.7
TYBTYROSINALA,I1GA40.7
TYBTYROSINALA,B,C1NLU0.7
TYBTYROSINALA,B1KE10.7
TYBTYROSINALA,B1H3F0.7
TYBTYROSINALA,B1H3E0.7
PCRP-CRESOLA1JHV0.7
PCRP-CRESOLA1JHU0.7
PCRP-CRESOLA,B,C,D1DIQ0.7
4BR2-(4-METHYLPHENOXY)ETHYLPHOSPHINATEA1PE70.81
INK(RP,SP)-O-(2R)-(1-PHENOXYBUT-2-
YL)-METHYLPHOSPHONIC ACID CHLORIDE
A1HQD0.71
ZHZ2-(4-METHOXYPHENYL)ACETAMIDED,H2HKR0.8
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG20.76
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG10.76
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RH00.76
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGU0.76
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGT0.76
PZM1-(4-METHOXYPHENYL)METHANAMINEA,D,H2HJB0.86
CMZ(2S)-1-(2,5-dimethylphenoxy)-3-
morpholin-4-ylpropan-2-ol
A2OF00.76
OHT4-HYDROXYTAMOXIFENA3ERT0.8
OHT4-HYDROXYTAMOXIFENA,B1S9Q0.8
OHT4-HYDROXYTAMOXIFENA,B1VJB0.8
OHT4-HYDROXYTAMOXIFENA,B,C,P,R2JF90.8
OHT4-HYDROXYTAMOXIFENA,B,C,D,E,F2GPV0.8
OHT4-HYDROXYTAMOXIFENA2GPU0.8
OHT4-HYDROXYTAMOXIFENA2P7Z0.8
OHT4-HYDROXYTAMOXIFENA,B2BJ40.8
OHT4-HYDROXYTAMOXIFENA,B2FSZ0.8
ZHH2-(4-METHOXYPHENYL)ETHANAMINED,H2HKR0.91
BR3(6-METHYL-3,4-DIHYDRO-2H-CHROMEN-
2-YL)METHYLPHOSPHINATE
A1PE50.76
CTX(Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)-
PHENOXY]-N,N-DIMETHYLETHANAMINE
A,B,C1YA40.84
AEF4-(2-aminoethyl)phenolA3BRA0.78
RFX(3R)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-
1-amine
A3GWV0.83
DR6ALPHA-[4-(1,1,3,3 - TETRAMETHYLBUTYL)PHENYL]-
OMEGA-HYDROXY-POLY(OXY-1,2-ETHANEDIYL)
C,I,T1YTZ0.74
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGT0.76
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG20.76
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B2AN40.76
ANMANISOMYCIN1,2,4,A,B,C,
D,E,J,K,L,M,
N,O,P,R,S,T,
U,V,Z
1K730.73
ANMANISOMYCIN0,1,3,9,A,B,
C,F,H,J,K,L,
M,N,O,Q,R,S,
T,U,Y,Z
3CC40.73
AEH4-(2-aminoethyl)-2-ethylphenolA3BUG0.76
LNRL-NOREPINEPHRINEA,B2QEO0.7
LNRL-NOREPINEPHRINEA3DYE0.7
LNRL-NOREPINEPHRINEA4PAH0.7
DBA(2,6-DIMETHYL-PHENOXY)-ACETIC ACIDA,B1IDB0.73
SFX(3S)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-
1-amine
A3GWW0.83
T443,5,3',5'-TETRAIODO-L-THYRONINEX1Y0X0.71
T443,5,3',5'-TETRAIODO-L-THYRONINEA1HK10.71
T443,5,3',5'-TETRAIODO-L-THYRONINEC,D1ICT0.71
T443,5,3',5'-TETRAIODO-L-THYRONINEA2RIW0.71
T443,5,3',5'-TETRAIODO-L-THYRONINEA,B2ROX0.71
T443,5,3',5'-TETRAIODO-L-THYRONINEA,B1IE40.71
T443,5,3',5'-TETRAIODO-L-THYRONINE1,21ETB0.71
T443,5,3',5'-TETRAIODO-L-THYRONINE1,21ETA0.71
T443,5,3',5'-TETRAIODO-L-THYRONINEA,B,C1SN00.71
T443,5,3',5'-TETRAIODO-L-THYRONINEA,B2CEO0.71
T443,5,3',5'-TETRAIODO-L-THYRONINEA,B1F860.71
T443,5,3',5'-TETRAIODO-L-THYRONINEA1HK40.71
T443,5,3',5'-TETRAIODO-L-THYRONINEA1HK20.71
T443,5,3',5'-TETRAIODO-L-THYRONINEA1HK50.71
T443,5,3',5'-TETRAIODO-L-THYRONINEA1HK30.71
ZZ14-METHYL-2H-CHROMEN-2-ONEA2CIP0.75
AHT4-(2,5-DIAMINO-5-HYDROXY-PENTYL)-
PHENOL
I,T1TMB0.73
PNT1,5-BIS(4-AMIDINOPHENOXY)PENTANEX3CR40.73
PNT1,5-BIS(4-AMIDINOPHENOXY)PENTANEB1D640.73
PNT1,5-BIS(4-AMIDINOPHENOXY)PENTANEX3CR50.73
PNT1,5-BIS(4-AMIDINOPHENOXY)PENTANEA,B,D,E1RKW0.73