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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03091558

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.73
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
A,B,I1ZSR0.86
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1ZJ70.86
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1ZLF0.86
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1HEG0.86
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1FQX0.86
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
A,B,I1IIQ0.86
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1HEF0.86
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
APD3-METHYLPHENYLALANINEA,B,C1GMY0.71
CTLCIS-(1R,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN-
1-OL
A,B2AN30.92
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGT0.74
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG20.74
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B2AN40.74
HMF2-AMINO-4-PHENYL-BUTYRIC ACIDI,J1AY60.73
AED4-(2-aminoethyl)-2-cyclohexylphenolA3BUH0.71
COR2,4-DIAMINO-1,5-DIPHENYL-3-HYDROXYPENTANEA9HVP0.84
HPEHOMOPHENYLALANINEA,B1B1H0.73
IGLALPHA-AMINO-2-INDANACETIC ACIDA1BDK0.71
FOG(4S,5S)-5-amino-4-hydroxy-6-phenylhexanoic acidI1EED0.73
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1ZSF0.86
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A1JLD0.86
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B1IDA0.86
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B1IDB0.86
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1Z8C0.86
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1ZBG0.86
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1ZPK0.86
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG20.74
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG10.74
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RH00.74
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGU0.74
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGT0.74
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
PHIIODO-PHENYLALANINEA1TF90.71
PHIIODO-PHENYLALANINEA,B,C,D1ORW0.71
PHIIODO-PHENYLALANINEA1T6H0.71
PHIIODO-PHENYLALANINEA,B,C1NLU0.71
PHIIODO-PHENYLALANINEA,I1GA10.71
PHIIODO-PHENYLALANINEA,I1GA40.71
PHIIODO-PHENYLALANINEP1CZI0.71
1PAPHENYLMETHYLACETIC ACID ALANINEI1BHF0.72
BIF(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACIDG,M,P,S1YYL0.74
BIF(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACIDG,M,P,S2I5Y0.74
1ZN(2S,3S,4E,6E,8S,9S)-3-amino-9-methoxy-
2,6,8-trimethyl-10-phenyldeca-4,6-
dienoic acid
C,F,M,N2IAE0.73
NDH(1R, 2S)-CIS 1,2 DIHYDROXY-1,2-
DIHYDRONAPHTHALENE
A,B1O7P0.7
TTLTRANS-(1S,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN-
1-OL
A,B2AN50.92
GB2(2R,3R,4S)-2-({[(1S)-2-HYDROXY-
1-PHENYLETHYL]AMINO}METHYL)PYRROLIDINE-
3,4-DIOL
A2F1A0.77
AEF4-(2-aminoethyl)phenolA3BRA0.71
DPND-PHENYLALANINEP1MCS0.73
DPND-PHENYLALANINEA1GOE0.73
DPND-PHENYLALANINEA2RM90.73
DPND-PHENYLALANINEA1SOC0.73
DPND-PHENYLALANINEB,C,E,F1SFQ0.73
DPND-PHENYLALANINEI1ABJ0.73
DPND-PHENYLALANINEP1DWE0.73
DPND-PHENYLALANINEI,M1HLT0.73
DPND-PHENYLALANINEA,H,L1J9C0.73
DPND-PHENYLALANINEI,T1TMB0.73
DPND-PHENYLALANINEA2JRY0.73
DPND-PHENYLALANINEA2SOC0.73
DPND-PHENYLALANINEA2YYF0.73
DPND-PHENYLALANINEI2HGT0.73
DPND-PHENYLALANINEA,D2Q3I0.73
DPND-PHENYLALANINEA,P1MCD0.73
DPND-PHENYLALANINEP1HAO0.73
DPND-PHENYLALANINEA,B,I1Z8J0.73
DPND-PHENYLALANINEA,B,C2PGQ0.73
DPND-PHENYLALANINEC,D,H,I,L,M,
X,Y
1DVA0.73
DPND-PHENYLALANINEP1NRR0.73
DPND-PHENYLALANINEI1PPB0.73
DPND-PHENYLALANINEC,D,G,H1NU70.73
DPND-PHENYLALANINEI2HPP0.73
DPND-PHENYLALANINEB,C2OD30.73
DPND-PHENYLALANINEA1B0Q0.73
DPND-PHENYLALANINEB,C,E,F1NU90.73
DPND-PHENYLALANINEA,B,I1Z8I0.73
DPND-PHENYLALANINEH,I,J1TMU0.73
DPND-PHENYLALANINEA,B,C,D,E,F2DNS0.73
DPND-PHENYLALANINEA1GO90.73
DPND-PHENYLALANINEB,C,E,F1A0H0.73
DPND-PHENYLALANINEP1MCF0.73
DPND-PHENYLALANINEA2RME0.73
DPND-PHENYLALANINEH,I1TMT0.73
DPND-PHENYLALANINEI1ABI0.73
DPND-PHENYLALANINER1NRQ0.73
DPND-PHENYLALANINEB,C,F,G2A1D0.73
DPND-PHENYLALANINEA,B2Q330.73
DPND-PHENYLALANINEC,H,L1DAN0.73
DPND-PHENYLALANINEP1MCE0.73
DPND-PHENYLALANINEB,C,E,F2A450.73
DPND-PHENYLALANINEA2RMI0.73
DPND-PHENYLALANINEA,B,I1TQ70.73
DPND-PHENYLALANINEA1W7M0.73
DPND-PHENYLALANINEP1HAP0.73
DPND-PHENYLALANINEA,B1ORF0.73
DPND-PHENYLALANINEI1IHS0.73
DPND-PHENYLALANINEP1MCC0.73
DPND-PHENYLALANINEA2RMD0.73
DPND-PHENYLALANINEA2JQB0.73
DPND-PHENYLALANINEI2HPQ0.73
DPND-PHENYLALANINEC,E,F1SHH0.73
DPND-PHENYLALANINEA,I1CVR0.73
DPND-PHENYLALANINEL,P1AUT0.73
DPND-PHENYLALANINEP1MCI0.73
DPND-PHENYLALANINEH,I3F6U0.73
DPND-PHENYLALANINEA1BFW0.73
DPND-PHENYLALANINEH,I1HAI0.73
DPND-PHENYLALANINEB,C2THF0.73
DPND-PHENYLALANINEI1IHT0.73
DPND-PHENYLALANINEA,P1MCJ0.73
DPND-PHENYLALANINEA1TKH0.73
DPND-PHENYLALANINEC,H,L,T2FIR0.73
DPND-PHENYLALANINEA2FMZ0.73
DPND-PHENYLALANINEA1YL90.73
DPND-PHENYLALANINEI1HUT0.73
DPND-PHENYLALANINEI1FXY0.73
DPND-PHENYLALANINEA1YL80.73
DPND-PHENYLALANINEC,H,L1QFK0.73
DPND-PHENYLALANINEP1MCB0.73
GB1(2R,3R,4S)-2-({[(1R)-2-HYDROXY-
1-PHENYLETHYL]AMINO}METHYL)PYRROLIDINE-
3,4-DIOL
A2F180.77
SOAISATOIC ANHYDRIDEA1BIO0.71
PG9D-PHENYLGLYCINEA,B,G,H10GS0.76
PG9D-PHENYLGLYCINEA,B,C,D2B4K0.76
TA2(2R,3S)-3-AMINO-3-PHENYLPROPANE-
1,2-DIOL
A,B2IFR0.89
4PH4-methyl-L-phenylalanineB,C3BV90.71
PPP3-PHENYL-1,2-PROPANDIOLA,B1HRN0.71
K7IL-alanyl-N-[(1S,2R)-1-benzyl-2-
hydroxypropyl]-L-alaninamide
A,B2QXG0.71
MPQN-METHYL-ALPHA-PHENYL-GLYCINED1D6E0.71
AEG4-[(2R)-2-aminopropyl]phenolA3BUF0.73
2NAnaphthalen-2-ylmethanolA,B,C3EE50.71
AHT4-(2,5-DIAMINO-5-HYDROXY-PENTYL)-
PHENOL
I,T1TMB0.72
4BZ4-(HYDROXYMETHYL)BENZAMIDINEA1S6H0.71
LLG2-aminoethyl naphthalen-1-ylacetateA3BC40.7
NALBETA-(2-NAPHTHYL)-ALANINEA,B2ITK0.74
NALBETA-(2-NAPHTHYL)-ALANINEH,I4THN0.74
NALBETA-(2-NAPHTHYL)-ALANINEA,B2Q5A0.74
NALBETA-(2-NAPHTHYL)-ALANINEA1ZWU0.74
NALBETA-(2-NAPHTHYL)-ALANINEA1SKL0.74
NALBETA-(2-NAPHTHYL)-ALANINEH,I5GDS0.74
NALBETA-(2-NAPHTHYL)-ALANINEA1ZH00.74
NALBETA-(2-NAPHTHYL)-ALANINEA,B2JT90.74
IOYP-IODO-D-PHENYLALANINEA1XBU0.71
HPHPHENYLALANINDIOLI1E5O0.82
HPHPHENYLALANINDIOLA,B1ODX0.82
HPHPHENYLALANINDIOLA,B1MTB0.82
HPHPHENYLALANINDIOLA,B2FGV0.82
HPHPHENYLALANINDIOLA1ODW0.82
HPHPHENYLALANINDIOLA,B2FGU0.82
HPHPHENYLALANINDIOLA,B1HXB0.82
PDH(2S)-2-AMINO-3-PHENYL-1-PROPANOLA1GQ00.85
PSA3-HYDROXY-4-AMINO-5-PHENYLPENTANOIC ACIDI1EPL0.74
PSA3-HYDROXY-4-AMINO-5-PHENYLPENTANOIC ACIDA,B,C,D2IFW0.74
PSA3-HYDROXY-4-AMINO-5-PHENYLPENTANOIC ACIDE,I1EPM0.74
S13(3S,5R,7R,8S,9S,10R)-7-(hydroxymethyl)-
3-(4-methylphenyl)-1,6-dioxa-2-
azaspiro[4.5]decane-8,9,10-triol
A2QRQ0.7
PEL2-PHENYL-ETHANOLA,B1I0D0.72
PEL2-PHENYL-ETHANOLD,H2I0T0.72
PEL2-PHENYL-ETHANOLA,B1HZY0.72
PEL2-PHENYL-ETHANOLA,B1I0B0.72
PEL2-PHENYL-ETHANOLA1EYW0.72
PEL2-PHENYL-ETHANOLA,B1JGM0.72
PHK(2R,3S)-3-AMINO-1-CHLORO-4-PHENYL-
BUTAN-2-OL
A1MU00.81
PHK(2R,3S)-3-AMINO-1-CHLORO-4-PHENYL-
BUTAN-2-OL
A1XRL0.81
GB3(2R,3R,4S,5R)-2-({[(1R)-2-HYDROXY-
1-PHENYLETHYL]AMINO}METHYL)-5-METHYLPYRROLIDINE-
3,4-DIOL
A2F1B0.77
ALNNAPHTHALEN-2-YL-3-ALANINEA,B,I,J2FIV0.76
ALNNAPHTHALEN-2-YL-3-ALANINEA,B1B0H0.76
ALNNAPHTHALEN-2-YL-3-ALANINEB1FIV0.76
ALNNAPHTHALEN-2-YL-3-ALANINEA,B,I,J3FIV0.76
PHLL-PHENYLALANINOLA,B1JOH0.85
PHLL-PHENYLALANINOLI3APR0.85
PHLL-PHENYLALANINOLA1DLZ0.85
PHLL-PHENYLALANINOLA1IH90.85
PHLL-PHENYLALANINOLA1OB40.85
PHLL-PHENYLALANINOLI2ER60.85
PHLL-PHENYLALANINOLA1R9U0.85
PHLL-PHENYLALANINOLA1OB70.85
PHLL-PHENYLALANINOLA,B1OB60.85
PHLL-PHENYLALANINOLA,B,C1AMT0.85
MFD(2S,3S,8S,9S)-3-AMINO-9-METHOXY-
2,6,8-TRIMETHYL-10-PHENYLDECA-4,6-
DIENOIC ACID
A1AY30.73
C3MN-[(2R,3S)-3-AMINO-2-HYDROXY-4-
PHENYLBUTYL]NAPHTHALENE-2-SULFONAMIDE
B,I2C8Y0.74
LNRL-NOREPINEPHRINEA,B2QEO0.7
LNRL-NOREPINEPHRINEA3DYE0.7
LNRL-NOREPINEPHRINEA4PAH0.7
TBC(9S,10R)-9-HYDROXY-7,8,9,10-TETRAHYDROBENZO[A]PYRENEA1N8C0.7
SK3(1R,2R,3S,4S,5R)-5-(BENZYLAMINO)CYCLOPENTANE-
1,2,3,4-TETROL
A2F7R0.72
S06(3S,5R,7R,8S,9S,10R)-7-(hydroxymethyl)-
3-(2-naphthyl)-1,6-dioxa-2-azaspiro[4.5]decane-
8,9,10-triol
A2QRP0.71
HNT[(3R)-7-NITRO-1,2,3,4-TETRAHYDROISOQUINOLIN-
3-YL]METHANOL
A,B2G700.7