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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03376539

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
ALNNAPHTHALEN-2-YL-3-ALANINEA,B,I,J2FIV0.73
ALNNAPHTHALEN-2-YL-3-ALANINEA,B1B0H0.73
ALNNAPHTHALEN-2-YL-3-ALANINEB1FIV0.73
ALNNAPHTHALEN-2-YL-3-ALANINEA,B,I,J3FIV0.73
GB2(2R,3R,4S)-2-({[(1S)-2-HYDROXY-
1-PHENYLETHYL]AMINO}METHYL)PYRROLIDINE-
3,4-DIOL
A2F1A0.73
GB1(2R,3R,4S)-2-({[(1R)-2-HYDROXY-
1-PHENYLETHYL]AMINO}METHYL)PYRROLIDINE-
3,4-DIOL
A2F180.73
B2FPHENYLALANINE BORONIC ACIDA,P1GBM0.72
B2FPHENYLALANINE BORONIC ACIDA,P1GBD0.72
B2FPHENYLALANINE BORONIC ACIDA,P1P060.72
B2FPHENYLALANINE BORONIC ACIDA,P1GBI0.72
B2FPHENYLALANINE BORONIC ACIDA,P8LPR0.72
APD3-METHYLPHENYLALANINEA,B,C1GMY0.71
0071-METHYLAMINE-1-BENZYL-CYCLOPENTANEA,B,C,D2BUA0.71
AED4-(2-aminoethyl)-2-cyclohexylphenolA3BUH0.76
TA2(2R,3S)-3-AMINO-3-PHENYLPROPANE-
1,2-DIOL
A,B2IFR0.82
PPP3-PHENYL-1,2-PROPANDIOLA,B1HRN0.72
LLG2-aminoethyl naphthalen-1-ylacetateA3BC40.71
PHK(2R,3S)-3-AMINO-1-CHLORO-4-PHENYL-
BUTAN-2-OL
A1MU00.74
PHK(2R,3S)-3-AMINO-1-CHLORO-4-PHENYL-
BUTAN-2-OL
A1XRL0.74
1ZN(2S,3S,4E,6E,8S,9S)-3-amino-9-methoxy-
2,6,8-trimethyl-10-phenyldeca-4,6-
dienoic acid
C,F,M,N2IAE0.72
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.75
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.75
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
NALBETA-(2-NAPHTHYL)-ALANINEA,B2ITK0.71
NALBETA-(2-NAPHTHYL)-ALANINEH,I4THN0.71
NALBETA-(2-NAPHTHYL)-ALANINEA,B2Q5A0.71
NALBETA-(2-NAPHTHYL)-ALANINEA1ZWU0.71
NALBETA-(2-NAPHTHYL)-ALANINEA1SKL0.71
NALBETA-(2-NAPHTHYL)-ALANINEH,I5GDS0.71
NALBETA-(2-NAPHTHYL)-ALANINEA1ZH00.71
NALBETA-(2-NAPHTHYL)-ALANINEA,B2JT90.71
PG9D-PHENYLGLYCINEA,B,G,H10GS0.75
PG9D-PHENYLGLYCINEA,B,C,D2B4K0.75
4BZ4-(HYDROXYMETHYL)BENZAMIDINEA1S6H0.75
AEH4-(2-aminoethyl)-2-ethylphenolA3BUG0.72
B28A,B2E9A0.7
12M(2-ETHYLPHENYL)METHANOLA,B2F620.71
AEF4-(2-aminoethyl)phenolA3BRA0.71
2NAnaphthalen-2-ylmethanolA,B,C3EE50.74
PDH(2S)-2-AMINO-3-PHENYL-1-PROPANOLA1GQ00.82
PEA2-PHENYLETHYLAMINEA,B,E,F,G,H1MHW0.7
PEA2-PHENYLETHYLAMINEA1TNJ0.7
PEA2-PHENYLETHYLAMINED,H2HKM0.7
PEA2-PHENYLETHYLAMINEA1UTO0.7
PEA2-PHENYLETHYLAMINEA,B1D6Y0.7
PEA2-PHENYLETHYLAMINEA,B1D6Z0.7
PEA2-PHENYLETHYLAMINEA,B1D6U0.7
PEA2-PHENYLETHYLAMINEA1UTM0.7
PEL2-PHENYL-ETHANOLA,B1I0D0.76
PEL2-PHENYL-ETHANOLD,H2I0T0.76
PEL2-PHENYL-ETHANOLA,B1HZY0.76
PEL2-PHENYL-ETHANOLA,B1I0B0.76
PEL2-PHENYL-ETHANOLA1EYW0.76
PEL2-PHENYL-ETHANOLA,B1JGM0.76
PHLL-PHENYLALANINOLA,B1JOH0.82
PHLL-PHENYLALANINOLI3APR0.82
PHLL-PHENYLALANINOLA1DLZ0.82
PHLL-PHENYLALANINOLA1IH90.82
PHLL-PHENYLALANINOLA1OB40.82
PHLL-PHENYLALANINOLI2ER60.82
PHLL-PHENYLALANINOLA1R9U0.82
PHLL-PHENYLALANINOLA1OB70.82
PHLL-PHENYLALANINOLA,B1OB60.82
PHLL-PHENYLALANINOLA,B,C1AMT0.82
SOAISATOIC ANHYDRIDEA1BIO0.71
MFD(2S,3S,8S,9S)-3-AMINO-9-METHOXY-
2,6,8-TRIMETHYL-10-PHENYLDECA-4,6-
DIENOIC ACID
A1AY30.72
HPHPHENYLALANINDIOLI1E5O0.79
HPHPHENYLALANINDIOLA,B1ODX0.79
HPHPHENYLALANINDIOLA,B1MTB0.79
HPHPHENYLALANINDIOLA,B2FGV0.79
HPHPHENYLALANINDIOLA1ODW0.79
HPHPHENYLALANINDIOLA,B2FGU0.79
HPHPHENYLALANINDIOLA,B1HXB0.79
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1ZSF0.79
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A1JLD0.79
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B1IDA0.79
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B1IDB0.79
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1Z8C0.79
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1ZBG0.79
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1ZPK0.79
AHT4-(2,5-DIAMINO-5-HYDROXY-PENTYL)-
PHENOL
I,T1TMB0.72
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
A,B,I1ZSR0.79
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1ZJ70.79
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1ZLF0.79
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1HEG0.79
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1FQX0.79
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
A,B,I1IIQ0.79
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1HEF0.79
CTLCIS-(1R,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN-
1-OL
A,B2AN30.8
B08A,B2E990.71
COR2,4-DIAMINO-1,5-DIPHENYL-3-HYDROXYPENTANEA9HVP0.83
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
GB3(2R,3R,4S,5R)-2-({[(1R)-2-HYDROXY-
1-PHENYLETHYL]AMINO}METHYL)-5-METHYLPYRROLIDINE-
3,4-DIOL
A2F1B0.72
TBC(9S,10R)-9-HYDROXY-7,8,9,10-TETRAHYDROBENZO[A]PYRENEA1N8C0.72
4FA4-FLUOROPHENETHYL ALCOHOLA1OWZ0.73
ABNBENZYLAMINED,H2HXC0.72
ABNBENZYLAMINEA,I1A860.72
ABNBENZYLAMINEA1UTN0.72
ABNBENZYLAMINEA1N6X0.72
ABNBENZYLAMINEA2BZA0.72
ABNBENZYLAMINEA2EUS0.72
ABNBENZYLAMINEA1N6Y0.72
ABNBENZYLAMINEA1UTJ0.72
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGT0.71
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG20.71
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B2AN40.71
TTLTRANS-(1S,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN-
1-OL
A,B2AN50.8
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.79
1PAPHENYLMETHYLACETIC ACID ALANINEI1BHF0.71