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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02486796

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
K30(2S)-4-(2,5-difluorophenyl)-N-[(3R,4S)-
3-fluoro-1-methylpiperidin-4-yl]-
2-(hydroxymethyl)-N-methyl-2-phenyl-
2,5-dihydro-1H-pyrrole-1-carboxamide
A,B3CJO0.74
PHLL-PHENYLALANINOLA,B1JOH0.71
PHLL-PHENYLALANINOLI3APR0.71
PHLL-PHENYLALANINOLA1DLZ0.71
PHLL-PHENYLALANINOLA1IH90.71
PHLL-PHENYLALANINOLA1OB40.71
PHLL-PHENYLALANINOLI2ER60.71
PHLL-PHENYLALANINOLA1R9U0.71
PHLL-PHENYLALANINOLA1OB70.71
PHLL-PHENYLALANINOLA,B1OB60.71
PHLL-PHENYLALANINOLA,B,C1AMT0.71
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1ZSF0.72
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A1JLD0.72
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B1IDA0.72
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B1IDB0.72
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1Z8C0.72
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1ZBG0.72
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1ZPK0.72
SB31,3-DIPHENYL-1-PROPYL-1-(3,3-DIMETHYL-
1,2-DIOXYPENTYL)-2-PIPERIDINE CARBOXYLATE
A1FKG0.73
PDH(2S)-2-AMINO-3-PHENYL-1-PROPANOLA1GQ00.71
LOBLOBELINEA,B,C,D,E,F,
G,H,I,J
2BYS0.83
SS2(1R)-1-PHENYLETHANOLA1ZK00.71
SS2(1R)-1-PHENYLETHANOLA1ZJZ0.71
SS2(1R)-1-PHENYLETHANOLA1ZJY0.71
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
A,B,I1ZSR0.72
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1ZJ70.72
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1ZLF0.72
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1HEG0.72
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1FQX0.72
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
A,B,I1IIQ0.72
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1HEF0.72
BM43-[(3R)-3-ethyl-1-{9-[(3S)-3-ethyl-
3-(3-hydroxyphenyl)azepan-1-yl]nonyl}azepan-
3-yl]phenol
X2W6C0.71
GB2(2R,3R,4S)-2-({[(1S)-2-HYDROXY-
1-PHENYLETHYL]AMINO}METHYL)PYRROLIDINE-
3,4-DIOL
A2F1A0.72
COR2,4-DIAMINO-1,5-DIPHENYL-3-HYDROXYPENTANEA9HVP0.77
ALEL-EPINEPHRINEA3PAH0.7
ALEL-EPINEPHRINEA2HKK0.7
2PMN-[2-(BENZHYDRYLOXY)ETHYL]-N,N-
DIMETHYLAMINE
A,B2AOT0.77
GB1(2R,3R,4S)-2-({[(1R)-2-HYDROXY-
1-PHENYLETHYL]AMINO}METHYL)PYRROLIDINE-
3,4-DIOL
A2F180.72
VBZ(1R,4R,5R,7R,8R)-2-Benzyl-5-hydroxymethyl-
2-aza-bicyclo[2.2.2]octane-4,7,8-
triol
A,B2VO50.76
OHT4-HYDROXYTAMOXIFENA3ERT0.71
OHT4-HYDROXYTAMOXIFENA,B1S9Q0.71
OHT4-HYDROXYTAMOXIFENA,B1VJB0.71
OHT4-HYDROXYTAMOXIFENA,B,C,P,R2JF90.71
OHT4-HYDROXYTAMOXIFENA,B,C,D,E,F2GPV0.71
OHT4-HYDROXYTAMOXIFENA2GPU0.71
OHT4-HYDROXYTAMOXIFENA2P7Z0.71
OHT4-HYDROXYTAMOXIFENA,B2BJ40.71
OHT4-HYDROXYTAMOXIFENA,B2FSZ0.71
DMP[4-R-(-4-ALPHA,5-ALPHA,6-BETA,7-
BETA)]-HEXAHYDRO-5,6-BIS(HYDROXY)-
[1,3-BIS([4-HYDROXYMETHYL-PHENYL]METHYL)-
4,7-BIS(PHENYLMETHYL)]-2H-1,3-DIAZEPINONE
B1BVG0.77
DMP[4-R-(-4-ALPHA,5-ALPHA,6-BETA,7-
BETA)]-HEXAHYDRO-5,6-BIS(HYDROXY)-
[1,3-BIS([4-HYDROXYMETHYL-PHENYL]METHYL)-
4,7-BIS(PHENYLMETHYL)]-2H-1,3-DIAZEPINONE
B1MES0.77
DMP[4-R-(-4-ALPHA,5-ALPHA,6-BETA,7-
BETA)]-HEXAHYDRO-5,6-BIS(HYDROXY)-
[1,3-BIS([4-HYDROXYMETHYL-PHENYL]METHYL)-
4,7-BIS(PHENYLMETHYL)]-2H-1,3-DIAZEPINONE
A1MET0.77
DMP[4-R-(-4-ALPHA,5-ALPHA,6-BETA,7-
BETA)]-HEXAHYDRO-5,6-BIS(HYDROXY)-
[1,3-BIS([4-HYDROXYMETHYL-PHENYL]METHYL)-
4,7-BIS(PHENYLMETHYL)]-2H-1,3-DIAZEPINONE
A,B1QBS0.77
DMP[4-R-(-4-ALPHA,5-ALPHA,6-BETA,7-
BETA)]-HEXAHYDRO-5,6-BIS(HYDROXY)-
[1,3-BIS([4-HYDROXYMETHYL-PHENYL]METHYL)-
4,7-BIS(PHENYLMETHYL)]-2H-1,3-DIAZEPINONE
B1BVE0.77
DMP[4-R-(-4-ALPHA,5-ALPHA,6-BETA,7-
BETA)]-HEXAHYDRO-5,6-BIS(HYDROXY)-
[1,3-BIS([4-HYDROXYMETHYL-PHENYL]METHYL)-
4,7-BIS(PHENYLMETHYL)]-2H-1,3-DIAZEPINONE
A1MEU0.77
TA2(2R,3S)-3-AMINO-3-PHENYLPROPANE-
1,2-DIOL
A,B2IFR0.73
K7IL-alanyl-N-[(1S,2R)-1-benzyl-2-
hydroxypropyl]-L-alaninamide
A,B2QXG0.71
TTLTRANS-(1S,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN-
1-OL
A,B2AN50.79
AHT4-(2,5-DIAMINO-5-HYDROXY-PENTYL)-
PHENOL
I,T1TMB0.72
BS2(3-ENDO,8-ANTI)-8-BENZYL-3-(10,11-
DIHYDRO-5H-DIBENZO[A,D][7]ANNULEN-
5-YLOXY)-8-AZONIABICYCLO[3.2.1]OCTANE
A,D,E2W8G0.72
TXF(Z)-4-(1-{4-[2-(DIMETHYLAMINO)ETHOXY]PHENYL}-
5-HYDROXY-2-PHENYLPENT-1-ENYL)PHENOL
A,B,C,D,E2EWP0.72
Q82{[4-R(-4-ALPHA,5-ALPHA,6-BETA,7-
BETA)]-HEXAHYDRO-5,6-BIS(HYDROXY)-
1,3-BIS(4-HYDROXYMETHYL)METHYL]-
4,7-BIS(PHENYLMETHYL)-2H-1,3-DIAZEPIN-
2-YLIDENE]CYANAMIDE}
B1HVH0.75
OIN(1R,5S)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-
3-YL (2R)-3-HYDROXY-2-PHENYLPROPANOATE
A1TH60.71
OIN(1R,5S)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-
3-YL (2R)-3-HYDROXY-2-PHENYLPROPANOATE
A2ARM0.71
SS11-PHENYLETHANOLH1UM50.71
216[4-R-(4-ALPHA,6-BETA,7-BETA]-HEXAHYDRO-
5,6-DI(HYDROXY)-1,3-DI(ALLYL)-4,7-
BISPHENYLMETHYL)-2H-1,3-DIAZEPINONE
B1HWR0.78
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG20.71
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG10.71
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RH00.71
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGU0.71
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGT0.71
KI23-BENZYLOXYCARBONYLAMINO-2-HYDROXY-
4-PHENYL-BUTYRIC ACID
A,B,I,J1NH00.72
KI23-BENZYLOXYCARBONYLAMINO-2-HYDROXY-
4-PHENYL-BUTYRIC ACID
I1U8G0.72
G27(3R,4R,5R)-5-(HYDROXYMETHYL)-1-
(3-PHENYLPROPYL)PIPERIDINE-3,4-
DIOL
A2G9R0.78
G27(3R,4R,5R)-5-(HYDROXYMETHYL)-1-
(3-PHENYLPROPYL)PIPERIDINE-3,4-
DIOL
A2G9U0.78
CTLCIS-(1R,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN-
1-OL
A,B2AN30.79
GB3(2R,3R,4S,5R)-2-({[(1R)-2-HYDROXY-
1-PHENYLETHYL]AMINO}METHYL)-5-METHYLPYRROLIDINE-
3,4-DIOL
A2F1B0.72
HC6(2S,2'S)-2,2'-biphenyl-4,4'-diylbis(2-
hydroxy-4,4-dimethylmorpholin-4-
ium)
A,B3F2R0.8
HC6(2S,2'S)-2,2'-biphenyl-4,4'-diylbis(2-
hydroxy-4,4-dimethylmorpholin-4-
ium)
A,B3G150.8
BS1(3-EXO)-3-(10,11-DIHYDRO-5H-DIBENZO[A,D][7]ANNULEN-
5-YLOXY)-8,8-DIMETHYL-8-AZONIABICYCLO[3.2.1]OCTANE
A,F2W8F0.78
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGT0.71
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG20.71
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B2AN40.71
HTQHOMOTROPINEA,B,C2DQZ0.74
HTQHOMOTROPINEA,B,C,D,E,F1MX50.74
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQR0.72
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQS0.72