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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03506364

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
15M(5Z)-7-{(1R,2R,3R,5S)-3,5-DIHYDROXY-
2-[(1E,3S)-3-HYDROXY-5-PHENYLPENT-
1-ENYL]CYCLOPENTYL}-N-ETHYLHEPT-
5-ENAMIDE
A2F380.76
PDH(2S)-2-AMINO-3-PHENYL-1-PROPANOLA1GQ00.81
ZAEN-methyl-D-phenylalanineH,I,R1TBZ0.74
BES2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-
4-METHYL-PENTANOIC ACID
A,B2ZOF0.73
BES2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-
4-METHYL-PENTANOIC ACID
A2HPT0.73
BES2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-
4-METHYL-PENTANOIC ACID
A1TXR0.73
BES2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-
4-METHYL-PENTANOIC ACID
A1XRY0.73
BES2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-
4-METHYL-PENTANOIC ACID
A2EK90.73
BES2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-
4-METHYL-PENTANOIC ACID
A1HS60.73
BES2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-
4-METHYL-PENTANOIC ACID
A2DQM0.73
BES2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-
4-METHYL-PENTANOIC ACID
A3EBH0.73
BES2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-
4-METHYL-PENTANOIC ACID
A1GW60.73
BES2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-
4-METHYL-PENTANOIC ACID
A,B2ZOG0.73
CTLCIS-(1R,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN-
1-OL
A,B2AN30.84
2TN2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDEA2OTF0.7
2TN2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDEA2NUV0.7
2TN2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDEA2OUB0.7
1BHN-BENZYLOXYCARBONYL-ALA-PRO-3-AMINO-
4-PHENYL-BUTAN-2-OL
A1BH60.72
PFF4-FLUORO-L-PHENYLALANINEA3F3C0.71
PFF4-FLUORO-L-PHENYLALANINEA,C,E,F2UUE0.71
PFF4-FLUORO-L-PHENYLALANINEA1ZNT0.71
PFF4-FLUORO-L-PHENYLALANINEF,H1OL10.71
PFF4-FLUORO-L-PHENYLALANINEA,C,F,H2C5V0.71
PFF4-FLUORO-L-PHENYLALANINEE,F1OL20.71
PHLL-PHENYLALANINOLA,B1JOH0.81
PHLL-PHENYLALANINOLI3APR0.81
PHLL-PHENYLALANINOLA1DLZ0.81
PHLL-PHENYLALANINOLA1IH90.81
PHLL-PHENYLALANINOLA1OB40.81
PHLL-PHENYLALANINOLI2ER60.81
PHLL-PHENYLALANINOLA1R9U0.81
PHLL-PHENYLALANINOLA1OB70.81
PHLL-PHENYLALANINOLA,B1OB60.81
PHLL-PHENYLALANINOLA,B,C1AMT0.81
LDPL-DOPAMINEA,B2A3R0.7
LDPL-DOPAMINEA5PAH0.7
LDPL-DOPAMINEA,B2QMZ0.7
LDPL-DOPAMINEA,B2VQ50.7
C20ACETYL-NH-VAL-CYCLOHEXYL-CH2[NCH2CHOH]CH2-
BENZYL-VAL-NH-ACETYL
A,B1HIH0.71
C20ACETYL-NH-VAL-CYCLOHEXYL-CH2[NCH2CHOH]CH2-
BENZYL-VAL-NH-ACETYL
A,B1HII0.71
MPQN-METHYL-ALPHA-PHENYL-GLYCINED1D6E0.72
PIR2-(4-AMINO-PHENYL)-5-HYDROXYMETHYL-
PYRROLIDINE-3,4-DIOL
A,B,C,D2MAS0.72
AEH4-(2-aminoethyl)-2-ethylphenolA3BUG0.75
SS2(1R)-1-PHENYLETHANOLA1ZK00.76
SS2(1R)-1-PHENYLETHANOLA1ZJZ0.76
SS2(1R)-1-PHENYLETHANOLA1ZJY0.76
412(R)-1-(4-(4-(HYDROXYMETHYL)-1,3,2-
DIOXABOROLAN-2-YL)PHENETHYL)GUANIDINE
A1ZML0.7
DTYD-TYROSINEA1C4B0.71
DTYD-TYROSINEA,L1ZEA0.71
DTYD-TYROSINEA,B,C,D,E,F,
G,H
1OF60.71
DTYD-TYROSINEA,B1UNO0.71
DTYD-TYROSINEA2IGZ0.71
DTYD-TYROSINEA,B,C,H,K,L2R5D0.71
DTYD-TYROSINEA,B2Q330.71
DTYD-TYROSINEH,S2H9E0.71
DTYD-TYROSINEA,B,C,H,K,L2R5B0.71
DTYD-TYROSINEA2IH00.71
DTYD-TYROSINEA1D7T0.71
DTYD-TYROSINEA,B1XA00.71
TH8THIAMPHENICOLA,B,C,D,E,F2JKJ0.72
SEM3-AMINO-4-OXYBENZYL-2-BUTANONEA,B1THE0.71
MFD(2S,3S,8S,9S)-3-AMINO-9-METHOXY-
2,6,8-TRIMETHYL-10-PHENYLDECA-4,6-
DIENOIC ACID
A1AY30.71
RHP(3R)-3-(PROP-2-YNYLAMINO)INDAN-
5-OL
A,B1S3E0.72
HPHPHENYLALANINDIOLI1E5O0.78
HPHPHENYLALANINDIOLA,B1ODX0.78
HPHPHENYLALANINDIOLA,B1MTB0.78
HPHPHENYLALANINDIOLA,B2FGV0.78
HPHPHENYLALANINDIOLA1ODW0.78
HPHPHENYLALANINDIOLA,B2FGU0.78
HPHPHENYLALANINDIOLA,B1HXB0.78
PSA3-HYDROXY-4-AMINO-5-PHENYLPENTANOIC ACIDI1EPL0.71
PSA3-HYDROXY-4-AMINO-5-PHENYLPENTANOIC ACIDA,B,C,D2IFW0.71
PSA3-HYDROXY-4-AMINO-5-PHENYLPENTANOIC ACIDE,I1EPM0.71
CLKALPHA-N-DICHLOROACETYL-P-AMINOPHENYLSERINOLA1GRQ0.72
TTLTRANS-(1S,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN-
1-OL
A,B2AN50.84
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1ZSF0.84
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A1JLD0.84
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B1IDA0.84
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B1IDB0.84
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1Z8C0.84
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1ZBG0.84
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1ZPK0.84
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A,B,M,N1FJM0.71
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A1EVA0.71
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A1LCM0.71
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A,B,C,D,E,F,
G,H
2NYM0.71
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
C,I2IE30.71
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
C,F,X,Y2NPP0.71
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A1EVC0.71
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
C,F,G,H3DW80.71
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A,B,C,D,E,F,
G,H
2NYL0.71
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A1EVD0.71
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A1EVB0.71
GB7(3R,4R,5R)-3,4-dihydroxy-5-({[(1R)-
2-hydroxy-1-phenylethyl]amino}methyl)-
1-methylpyrrolidin-2-one
A3DDG0.7
BBLN-[(BENZYLOXY)CARBONYL]-L-ALANINEA,I2H9H0.73
BBLN-[(BENZYLOXY)CARBONYL]-L-ALANINEA,I2HAL0.73
BBLN-[(BENZYLOXY)CARBONYL]-L-ALANINEA2A4O0.73
BBLN-[(BENZYLOXY)CARBONYL]-L-ALANINEA,I2H6M0.73
BBLN-[(BENZYLOXY)CARBONYL]-L-ALANINEA2CXV0.73
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B1QV70.71
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B,C,D1MG00.71
ALEL-EPINEPHRINEA3PAH0.77
ALEL-EPINEPHRINEA2HKK0.77
BJI1(R)-1-ACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACIDA1ERM0.71
YOF3-FLUOROTYROSINEA,B1XIL0.72
YOF3-FLUOROTYROSINEA,B1XDC0.72
YOF3-FLUOROTYROSINEA1RRX0.72
YOF3-FLUOROTYROSINEA,B3FYG0.72
AEG4-[(2R)-2-aminopropyl]phenolA3BUF0.79
CJO[(2R,4R)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-
4-(4-hydroxybenzyl)-5-oxoimidazolidin-
1-yl]acetic acid
A2QT20.7
GB3(2R,3R,4S,5R)-2-({[(1R)-2-HYDROXY-
1-PHENYLETHYL]AMINO}METHYL)-5-METHYLPYRROLIDINE-
3,4-DIOL
A2F1B0.81
2PMN-[2-(BENZHYDRYLOXY)ETHYL]-N,N-
DIMETHYLAMINE
A,B2AOT0.72
PHK(2R,3S)-3-AMINO-1-CHLORO-4-PHENYL-
BUTAN-2-OL
A1MU00.77
PHK(2R,3S)-3-AMINO-1-CHLORO-4-PHENYL-
BUTAN-2-OL
A1XRL0.77
LOBLOBELINEA,B,C,D,E,F,
G,H,I,J
2BYS0.71
TA2(2R,3S)-3-AMINO-3-PHENYLPROPANE-
1,2-DIOL
A,B2IFR0.79
ALDCARBOBENZYLOXYLEUCINYL-LEUCINYL-
LEUCINAL
A1BP40.73
BAV(3S,14R,16S)-16-[(1R)-1-hydroxy-
2-{[3-(1-methylethyl)benzyl]amino}ethyl]-
3,4,14-trimethyl-1,4-diazacyclohexadecane-
2,5-dione
A,B,C3DV50.71
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
A,B,I1ZSR0.84
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1ZJ70.84
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1ZLF0.84
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1HEG0.84
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1FQX0.84
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
A,B,I1IIQ0.84
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1HEF0.84
SOAISATOIC ANHYDRIDEA1BIO0.71
CLCN-ACETYL-P-NITROPHENYLSERINOLA1GRR0.73
1ZN(2S,3S,4E,6E,8S,9S)-3-amino-9-methoxy-
2,6,8-trimethyl-10-phenyldeca-4,6-
dienoic acid
C,F,M,N2IAE0.71
RFX(3R)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-
1-amine
A3GWV0.71
GB2(2R,3R,4S)-2-({[(1S)-2-HYDROXY-
1-PHENYLETHYL]AMINO}METHYL)PYRROLIDINE-
3,4-DIOL
A2F1A0.8
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQR0.73
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQS0.73
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
44B1,1,1,3,3,3-HEXAFLUORO-2-{4-[(2,2,2-
TRIFLUOROETHYL)AMINO]PHENYL}PROPAN-
2-OL
A,B,C,D1PQ90.72
GB1(2R,3R,4S)-2-({[(1R)-2-HYDROXY-
1-PHENYLETHYL]AMINO}METHYL)PYRROLIDINE-
3,4-DIOL
A2F180.8
SFX(3S)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-
1-amine
A3GWW0.71
AED4-(2-aminoethyl)-2-cyclohexylphenolA3BUH0.72
APLN-(1-BENZYL-3,3,3-TRIFLUORO-2,2-
DIHYDROXY-PROPYL)-ACETAMIDE
B,C1GG60.8
AHT4-(2,5-DIAMINO-5-HYDROXY-PENTYL)-
PHENOL
I,T1TMB0.78
AEF4-(2-aminoethyl)phenolA3BRA0.75
MXN(2R)-hydroxy(phenyl)ethanenitrileA,B3GDN0.73
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY50.71
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY80.71
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY90.71
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XXZ0.71
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY40.71
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY60.71
CMQN~2~-[(BENZYLOXY)CARBONYL]-N-[(1S,2S)-
2-HYDROXY-1-(4-HYDROXYBENZYL)PROPYL]-
L-LEUCINAMIDE
A,B,C,D,E,F,
G,H,I,J,K,L,
M,N
2FZS0.71
FRFPHE-REDUCED-PHEA,I1GVX0.71
SK3(1R,2R,3S,4S,5R)-5-(BENZYLAMINO)CYCLOPENTANE-
1,2,3,4-TETROL
A2F7R0.74
12M(2-ETHYLPHENYL)METHANOLA,B2F620.73
SS11-PHENYLETHANOLH1UM50.76
LNRL-NOREPINEPHRINEA,B2QEO0.73
LNRL-NOREPINEPHRINEA3DYE0.73
LNRL-NOREPINEPHRINEA4PAH0.73
IYTN-ALPHA-ACETYL-3,5-DIIODOTYROSYL-
D-THREONINE
A1SDW0.71
NDFN-(CARBOXYCARBONYL)-D-PHENYLALANINEA1YCI0.7
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGT0.79
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG20.79
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B2AN40.79
K7IL-alanyl-N-[(1S,2R)-1-benzyl-2-
hydroxypropyl]-L-alaninamide
A,B2QXG0.8
24B(2,4-DIFLUOROPHENYL)METHANOLA,B1QV60.71
KI23-BENZYLOXYCARBONYLAMINO-2-HYDROXY-
4-PHENYL-BUTYRIC ACID
A,B,I,J1NH00.72
KI23-BENZYLOXYCARBONYLAMINO-2-HYDROXY-
4-PHENYL-BUTYRIC ACID
I1U8G0.72
U11METHYL N-{(2S,3R)-3-AMINO-2-HYDROXY-
3-[4-(TRIFLUOROMETHYL)PHENYL]PROPANOYL}ALANYLGLYCINATE
A2GG00.7
MTJN,O-DIMETHYL-L-TYROSINEA,B1ATL0.71
G27(3R,4R,5R)-5-(HYDROXYMETHYL)-1-
(3-PHENYLPROPYL)PIPERIDINE-3,4-
DIOL
A2G9R0.7
G27(3R,4R,5R)-5-(HYDROXYMETHYL)-1-
(3-PHENYLPROPYL)PIPERIDINE-3,4-
DIOL
A2G9U0.7
269(1R)-3-chloro-1-phenylpropan-1-
ol
A2RBS0.7
GB6(3R,4R,5R)-3,4-dihydroxy-5-({[(1R)-
2-hydroxy-1-phenylethyl]amino}methyl)pyrrolidin-
2-one
A3DDF0.7
TYBTYROSINALA,B1KDZ0.73
TYBTYROSINALA1Q110.73
TYBTYROSINALA,B2J5B0.73
TYBTYROSINALA,I1GA40.73
TYBTYROSINALA,B,C1NLU0.73
TYBTYROSINALA,B1KE10.73
TYBTYROSINALA,B1H3F0.73
TYBTYROSINALA,B1H3E0.73
FOG(4S,5S)-5-amino-4-hydroxy-6-phenylhexanoic acidI1EED0.71
NLTN-DODECANOYL-L-TYROSINEA,B,C,D,E,F,
G,H
2G0B0.73
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG20.79
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG10.79
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RH00.79
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGU0.79
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGT0.79
MEAN-METHYLPHENYLALANINEA2PIL0.74
MEAN-METHYLPHENYLALANINEA,B,C,D1H0I0.74
MEAN-METHYLPHENYLALANINEA,B,I1DOJ0.74
INT[[PHENYLMETHYLOXY-CARBONYL]-ALANINYL]-
VALINYL-[PHENYL-1-HYDROXYPROP-2-
YL]-AMINE
A3TLH0.74
INT[[PHENYLMETHYLOXY-CARBONYL]-ALANINYL]-
VALINYL-[PHENYL-1-HYDROXYPROP-2-
YL]-AMINE
A1B110.74
INT[[PHENYLMETHYLOXY-CARBONYL]-ALANINYL]-
VALINYL-[PHENYL-1-HYDROXYPROP-2-
YL]-AMINE
A6FIV0.74
INT[[PHENYLMETHYLOXY-CARBONYL]-ALANINYL]-
VALINYL-[PHENYL-1-HYDROXYPROP-2-
YL]-AMINE
A5FIV0.74
INT[[PHENYLMETHYLOXY-CARBONYL]-ALANINYL]-
VALINYL-[PHENYL-1-HYDROXYPROP-2-
YL]-AMINE
A2HAH0.74
WR1NALPHA-[(BENZYLOXY)CARBONYL]-N-
[(1R)-4-HYDROXY-1-METHYL-2-OXOBUTYL]-
L-PHENYLALANINAMIDE
A,B2OP90.7
COR2,4-DIAMINO-1,5-DIPHENYL-3-HYDROXYPENTANEA9HVP0.79
GSOL-GAMMA-GLUTAMYL-S-[(2S)-2-HYDROXY-
2-PHENYLETHYL]-L-CYSTEINYLGLYCINE
A,B,C,D2C4J0.71
SBACARBOBENZYLOXY-(L)-LEUCINYL-(L)LEUCINYL METHOXYMETHYLKETONEA1BQI0.72
2SK(1R,2R,3R,4S,5R)-4-(BENZYLAMINO)-
5-(METHYLTHIO)CYCLOPENTANE-1,2,3-
TRIOL
A2F7P0.71
MNN(S)-MANDELIC ACID NITRILEA1YB60.73
MN71-CARBOXY-4-ISOBUTYLAMINOMETHYLBENZENEN1NLO0.71