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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03029246

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
AHT4-(2,5-DIAMINO-5-HYDROXY-PENTYL)-
PHENOL
I,T1TMB0.79
1ZN(2S,3S,4E,6E,8S,9S)-3-amino-9-methoxy-
2,6,8-trimethyl-10-phenyldeca-4,6-
dienoic acid
C,F,M,N2IAE0.7
MTYMETA-TYROSINEA2TOH0.73
MTYMETA-TYROSINEA,B1BIQ0.73
MTYMETA-TYROSINEA1Q7O0.73
GB2(2R,3R,4S)-2-({[(1S)-2-HYDROXY-
1-PHENYLETHYL]AMINO}METHYL)PYRROLIDINE-
3,4-DIOL
A2F1A0.73
SS11-PHENYLETHANOLH1UM50.77
DPND-PHENYLALANINEP1MCS0.72
DPND-PHENYLALANINEA1GOE0.72
DPND-PHENYLALANINEA2RM90.72
DPND-PHENYLALANINEA1SOC0.72
DPND-PHENYLALANINEB,C,E,F1SFQ0.72
DPND-PHENYLALANINEI1ABJ0.72
DPND-PHENYLALANINEP1DWE0.72
DPND-PHENYLALANINEI,M1HLT0.72
DPND-PHENYLALANINEA,H,L1J9C0.72
DPND-PHENYLALANINEI,T1TMB0.72
DPND-PHENYLALANINEA2JRY0.72
DPND-PHENYLALANINEA2SOC0.72
DPND-PHENYLALANINEA2YYF0.72
DPND-PHENYLALANINEI2HGT0.72
DPND-PHENYLALANINEA,D2Q3I0.72
DPND-PHENYLALANINEA,P1MCD0.72
DPND-PHENYLALANINEP1HAO0.72
DPND-PHENYLALANINEA,B,I1Z8J0.72
DPND-PHENYLALANINEA,B,C2PGQ0.72
DPND-PHENYLALANINEC,D,H,I,L,M,
X,Y
1DVA0.72
DPND-PHENYLALANINEP1NRR0.72
DPND-PHENYLALANINEI1PPB0.72
DPND-PHENYLALANINEC,D,G,H1NU70.72
DPND-PHENYLALANINEI2HPP0.72
DPND-PHENYLALANINEB,C2OD30.72
DPND-PHENYLALANINEA1B0Q0.72
DPND-PHENYLALANINEB,C,E,F1NU90.72
DPND-PHENYLALANINEA,B,I1Z8I0.72
DPND-PHENYLALANINEH,I,J1TMU0.72
DPND-PHENYLALANINEA,B,C,D,E,F2DNS0.72
DPND-PHENYLALANINEA1GO90.72
DPND-PHENYLALANINEB,C,E,F1A0H0.72
DPND-PHENYLALANINEP1MCF0.72
DPND-PHENYLALANINEA2RME0.72
DPND-PHENYLALANINEH,I1TMT0.72
DPND-PHENYLALANINEI1ABI0.72
DPND-PHENYLALANINER1NRQ0.72
DPND-PHENYLALANINEB,C,F,G2A1D0.72
DPND-PHENYLALANINEA,B2Q330.72
DPND-PHENYLALANINEC,H,L1DAN0.72
DPND-PHENYLALANINEP1MCE0.72
DPND-PHENYLALANINEB,C,E,F2A450.72
DPND-PHENYLALANINEA2RMI0.72
DPND-PHENYLALANINEA,B,I1TQ70.72
DPND-PHENYLALANINEA1W7M0.72
DPND-PHENYLALANINEP1HAP0.72
DPND-PHENYLALANINEA,B1ORF0.72
DPND-PHENYLALANINEI1IHS0.72
DPND-PHENYLALANINEP1MCC0.72
DPND-PHENYLALANINEA2RMD0.72
DPND-PHENYLALANINEA2JQB0.72
DPND-PHENYLALANINEI2HPQ0.72
DPND-PHENYLALANINEC,E,F1SHH0.72
DPND-PHENYLALANINEA,I1CVR0.72
DPND-PHENYLALANINEL,P1AUT0.72
DPND-PHENYLALANINEP1MCI0.72
DPND-PHENYLALANINEH,I3F6U0.72
DPND-PHENYLALANINEA1BFW0.72
DPND-PHENYLALANINEH,I1HAI0.72
DPND-PHENYLALANINEB,C2THF0.72
DPND-PHENYLALANINEI1IHT0.72
DPND-PHENYLALANINEA,P1MCJ0.72
DPND-PHENYLALANINEA1TKH0.72
DPND-PHENYLALANINEC,H,L,T2FIR0.72
DPND-PHENYLALANINEA2FMZ0.72
DPND-PHENYLALANINEA1YL90.72
DPND-PHENYLALANINEI1HUT0.72
DPND-PHENYLALANINEI1FXY0.72
DPND-PHENYLALANINEA1YL80.72
DPND-PHENYLALANINEC,H,L1QFK0.72
DPND-PHENYLALANINEP1MCB0.72
GB1(2R,3R,4S)-2-({[(1R)-2-HYDROXY-
1-PHENYLETHYL]AMINO}METHYL)PYRROLIDINE-
3,4-DIOL
A2F180.73
PPP3-PHENYL-1,2-PROPANDIOLA,B1HRN0.7
NDH(1R, 2S)-CIS 1,2 DIHYDROXY-1,2-
DIHYDRONAPHTHALENE
A,B1O7P0.74
AEH4-(2-aminoethyl)-2-ethylphenolA3BUG0.75
TA2(2R,3S)-3-AMINO-3-PHENYLPROPANE-
1,2-DIOL
A,B2IFR0.82
SEM3-AMINO-4-OXYBENZYL-2-BUTANONEA,B1THE0.71
FOG(4S,5S)-5-amino-4-hydroxy-6-phenylhexanoic acidI1EED0.73
TYI3,5-DIIODOTYROSINEA2D8W0.7
TYI3,5-DIIODOTYROSINEE,I1CTP0.7
TYI3,5-DIIODOTYROSINEA2D970.7
TYI3,5-DIIODOTYROSINEA2AXE0.7
TYI3,5-DIIODOTYROSINEA2D8O0.7
TYI3,5-DIIODOTYROSINEA,B2VLW0.7
TYI3,5-DIIODOTYROSINEA,B2C3V0.7
TYI3,5-DIIODOTYROSINEA2D980.7
TYI3,5-DIIODOTYROSINEA2NOO0.7
TYI3,5-DIIODOTYROSINEA2D8P0.7
TYI3,5-DIIODOTYROSINEA,B,C,D,E,F,
G,H
3GH80.7
TYI3,5-DIIODOTYROSINEA,B,C,D1L0S0.7
RHP(3R)-3-(PROP-2-YNYLAMINO)INDAN-
5-OL
A,B1S3E0.75
ALEL-EPINEPHRINEA3PAH0.72
ALEL-EPINEPHRINEA2HKK0.72
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
A,B,I1ZSR0.85
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1ZJ70.85
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1ZLF0.85
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1HEG0.85
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1FQX0.85
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
A,B,I1IIQ0.85
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1HEF0.85
LDPL-DOPAMINEA,B2A3R0.74
LDPL-DOPAMINEA5PAH0.74
LDPL-DOPAMINEA,B2QMZ0.74
LDPL-DOPAMINEA,B2VQ50.74
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1ZSF0.85
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A1JLD0.85
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B1IDA0.85
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B1IDB0.85
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1Z8C0.85
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1ZBG0.85
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1ZPK0.85
AEG4-[(2R)-2-aminopropyl]phenolA3BUF0.79
LNRL-NOREPINEPHRINEA,B2QEO0.76
LNRL-NOREPINEPHRINEA3DYE0.76
LNRL-NOREPINEPHRINEA4PAH0.76
HMF2-AMINO-4-PHENYL-BUTYRIC ACIDI,J1AY60.7
TYCL-TYROSINAMIDEA2BF90.71
TYCL-TYROSINAMIDEA2OCI0.71
HPEHOMOPHENYLALANINEA,B1B1H0.7
IYR3-IODO-TYROSINEA2D980.71
IYR3-IODO-TYROSINEA2D8P0.71
IYR3-IODO-TYROSINEA,B3GFD0.71
IYR3-IODO-TYROSINEA2R1Q0.71
IYR3-IODO-TYROSINEA2ZP10.71
IYR3-IODO-TYROSINEA,B,C,D2ZXV0.71
IYR3-IODO-TYROSINEC1CF00.71
IYR3-IODO-TYROSINEA1XXZ0.71
IYR3-IODO-TYROSINEA2D970.71
IYR3-IODO-TYROSINEA1XY90.71
IYR3-IODO-TYROSINEA2Z100.71
IYR3-IODO-TYROSINEA1WQ30.71
IYR3-IODO-TYROSINEA2D8O0.71
IYR3-IODO-TYROSINEA2D8W0.71
IYR3-IODO-TYROSINEA2Z110.71
SS2(1R)-1-PHENYLETHANOLA1ZK00.77
SS2(1R)-1-PHENYLETHANOLA1ZJZ0.77
SS2(1R)-1-PHENYLETHANOLA1ZJY0.77
4BZ4-(HYDROXYMETHYL)BENZAMIDINEA1S6H0.71
CTLCIS-(1R,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN-
1-OL
A,B2AN30.9
SOAISATOIC ANHYDRIDEA1BIO0.73
MFD(2S,3S,8S,9S)-3-AMINO-9-METHOXY-
2,6,8-TRIMETHYL-10-PHENYLDECA-4,6-
DIENOIC ACID
A1AY30.7
IOB3-IODO-BENZYL ALCOHOLA,B1QK00.7
MXN(2R)-hydroxy(phenyl)ethanenitrileA,B3GDN0.75
15M(5Z)-7-{(1R,2R,3R,5S)-3,5-DIHYDROXY-
2-[(1E,3S)-3-HYDROXY-5-PHENYLPENT-
1-ENYL]CYCLOPENTYL}-N-ETHYLHEPT-
5-ENAMIDE
A2F380.72
RM24-HYDROXY-N-PROPARGYL-1(R)-AMINOINDANA,B2C660.73
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A,B,M,N1FJM0.7
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A1EVA0.7
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A1LCM0.7
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A,B,C,D,E,F,
G,H
2NYM0.7
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
C,I2IE30.7
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
C,F,X,Y2NPP0.7
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A1EVC0.7
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
C,F,G,H3DW80.7
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A,B,C,D,E,F,
G,H
2NYL0.7
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A1EVD0.7
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A1EVB0.7
SK3(1R,2R,3S,4S,5R)-5-(BENZYLAMINO)CYCLOPENTANE-
1,2,3,4-TETROL
A2F7R0.7
TYBTYROSINALA,B1KDZ0.74
TYBTYROSINALA1Q110.74
TYBTYROSINALA,B2J5B0.74
TYBTYROSINALA,I1GA40.74
TYBTYROSINALA,B,C1NLU0.74
TYBTYROSINALA,B1KE10.74
TYBTYROSINALA,B1H3F0.74
TYBTYROSINALA,B1H3E0.74
B3Y(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACIDA3HF00.71
B3Y(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACIDA2OXK0.71
B3Y(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACIDA,B,C2OXJ0.71
GB3(2R,3R,4S,5R)-2-({[(1R)-2-HYDROXY-
1-PHENYLETHYL]AMINO}METHYL)-5-METHYLPYRROLIDINE-
3,4-DIOL
A2F1B0.72
IGLALPHA-AMINO-2-INDANACETIC ACIDA1BDK0.74
12M(2-ETHYLPHENYL)METHANOLA,B2F620.77
AEF4-(2-aminoethyl)phenolA3BRA0.77
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG20.81
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG10.81
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RH00.81
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGU0.81
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGT0.81
AED4-(2-aminoethyl)-2-cyclohexylphenolA3BUH0.74
MNN(S)-MANDELIC ACID NITRILEA1YB60.75
PDH(2S)-2-AMINO-3-PHENYL-1-PROPANOLA1GQ00.84
YOF3-FLUOROTYROSINEA,B1XIL0.71
YOF3-FLUOROTYROSINEA,B1XDC0.71
YOF3-FLUOROTYROSINEA1RRX0.71
YOF3-FLUOROTYROSINEA,B3FYG0.71
PHK(2R,3S)-3-AMINO-1-CHLORO-4-PHENYL-
BUTAN-2-OL
A1MU00.79
PHK(2R,3S)-3-AMINO-1-CHLORO-4-PHENYL-
BUTAN-2-OL
A1XRL0.79
TTLTRANS-(1S,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN-
1-OL
A,B2AN50.9
PSA3-HYDROXY-4-AMINO-5-PHENYLPENTANOIC ACIDI1EPL0.73
PSA3-HYDROXY-4-AMINO-5-PHENYLPENTANOIC ACIDA,B,C,D2IFW0.73
PSA3-HYDROXY-4-AMINO-5-PHENYLPENTANOIC ACIDE,I1EPM0.73
HPHPHENYLALANINDIOLI1E5O0.8
HPHPHENYLALANINDIOLA,B1ODX0.8
HPHPHENYLALANINDIOLA,B1MTB0.8
HPHPHENYLALANINDIOLA,B2FGV0.8
HPHPHENYLALANINDIOLA1ODW0.8
HPHPHENYLALANINDIOLA,B2FGU0.8
HPHPHENYLALANINDIOLA,B1HXB0.8
269(1R)-3-chloro-1-phenylpropan-1-
ol
A2RBS0.72
COR2,4-DIAMINO-1,5-DIPHENYL-3-HYDROXYPENTANEA9HVP0.79
PEL2-PHENYL-ETHANOLA,B1I0D0.7
PEL2-PHENYL-ETHANOLD,H2I0T0.7
PEL2-PHENYL-ETHANOLA,B1HZY0.7
PEL2-PHENYL-ETHANOLA,B1I0B0.7
PEL2-PHENYL-ETHANOLA1EYW0.7
PEL2-PHENYL-ETHANOLA,B1JGM0.7
1PAPHENYLMETHYLACETIC ACID ALANINEI1BHF0.71
PHLL-PHENYLALANINOLA,B1JOH0.84
PHLL-PHENYLALANINOLI3APR0.84
PHLL-PHENYLALANINOLA1DLZ0.84
PHLL-PHENYLALANINOLA1IH90.84
PHLL-PHENYLALANINOLA1OB40.84
PHLL-PHENYLALANINOLI2ER60.84
PHLL-PHENYLALANINOLA1R9U0.84
PHLL-PHENYLALANINOLA1OB70.84
PHLL-PHENYLALANINOLA,B1OB60.84
PHLL-PHENYLALANINOLA,B,C1AMT0.84
DTYD-TYROSINEA1C4B0.73
DTYD-TYROSINEA,L1ZEA0.73
DTYD-TYROSINEA,B,C,D,E,F,
G,H
1OF60.73
DTYD-TYROSINEA,B1UNO0.73
DTYD-TYROSINEA2IGZ0.73
DTYD-TYROSINEA,B,C,H,K,L2R5D0.73
DTYD-TYROSINEA,B2Q330.73
DTYD-TYROSINEH,S2H9E0.73
DTYD-TYROSINEA,B,C,H,K,L2R5B0.73
DTYD-TYROSINEA2IH00.73
DTYD-TYROSINEA1D7T0.73
DTYD-TYROSINEA,B1XA00.73
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGT0.81
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG20.81
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B2AN40.81