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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03040654

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
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
A,B,I1ZSR0.7
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1ZJ70.7
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1ZLF0.7
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1HEG0.7
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1FQX0.7
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
A,B,I1IIQ0.7
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1HEF0.7
CHP3-CHLORO-4-HYDROXYPHENYLGLYCINEA1DSR0.7
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
M18{(2S)-1-[N-(tert-butoxycarbonyl)glycyl]pyrrolidin-
2-yl}methyl (3-chlorophenyl)acetate
H,I3EGK0.74
APHP-AMIDINOPHENYL-3-ALANINEE,I1PPC0.71
APHP-AMIDINOPHENYL-3-ALANINEH1ETS0.71
APHP-AMIDINOPHENYL-3-ALANINEH1ETT0.71
APHP-AMIDINOPHENYL-3-ALANINEI1QUR0.71
FOG(4S,5S)-5-amino-4-hydroxy-6-phenylhexanoic acidI1EED0.74
PDH(2S)-2-AMINO-3-PHENYL-1-PROPANOLA1GQ00.71
INFD-[(N-HYDROXYAMINO)CARBONYL]PHENYLALANINEA1HDQ0.7
PF52,3,4,5,6-PENTAFLUORO-L-PHENYLALANINEA2JM00.71
MPQN-METHYL-ALPHA-PHENYL-GLYCINED1D6E0.72
NFAPHENYLALANINE AMIDEA,B,C,D2BTJ0.71
NFAPHENYLALANINE AMIDEA,B,C,D,E,F2EFX0.71
NFAPHENYLALANINE AMIDEA,B,C,D2VVJ0.71
NFAPHENYLALANINE AMIDEA2A4O0.71
NFAPHENYLALANINE AMIDEA,B1XAE0.71
NFAPHENYLALANINE AMIDEA,B,C,D2OGR0.71
NFAPHENYLALANINE AMIDEA,B,C,D1QA70.71
NFAPHENYLALANINE AMIDEA,B,C,D2GW40.71
CLDD-PARA-CHLOROPHENYL-1-ACTEAMIDOBORONIC ACID ALANINEA1AVT0.73
INGD-[(AMINO)CARBONYL]PHENYLALANINEA,B1UF80.72
INGD-[(AMINO)CARBONYL]PHENYLALANINEA,B,D,E1HDU0.72
IOYP-IODO-D-PHENYLALANINEA1XBU0.78
NDFN-(CARBOXYCARBONYL)-D-PHENYLALANINEA1YCI0.71
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1ZSF0.7
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A1JLD0.7
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B1IDA0.7
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B1IDB0.7
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1Z8C0.7
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1ZBG0.7
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1ZPK0.7
ZAEN-methyl-D-phenylalanineH,I,R1TBZ0.77
APD3-METHYLPHENYLALANINEA,B,C1GMY0.8
PG9D-PHENYLGLYCINEA,B,G,H10GS0.75
PG9D-PHENYLGLYCINEA,B,C,D2B4K0.75
PBFPARA-(BENZOYL)-PHENYLALANINEA2FR90.71
PBFPARA-(BENZOYL)-PHENYLALANINEA,B1EEN0.71
PBFPARA-(BENZOYL)-PHENYLALANINEA2HGZ0.71
PBFPARA-(BENZOYL)-PHENYLALANINEA2FRB0.71
TFQ4-(2,2,2-TRIFLUOROETHYL)-L-PHENYLALANINEA3D6V0.76
CNTN-METHYL-META-CHLORO-TYROSINEC,D1OKX0.72
PCSPHENYLALANYLMETHYLCHLORIDEB,D1DLK0.75
PCSPHENYLALANYLMETHYLCHLORIDEA1XQX0.75
4AF4-ACETYL-L-PHENYLALANINEA1ZH60.75
CXAPHENYLALANINE-N-SULFONAMIDEA1IY70.77
PHK(2R,3S)-3-AMINO-1-CHLORO-4-PHENYL-
BUTAN-2-OL
A1MU00.72
PHK(2R,3S)-3-AMINO-1-CHLORO-4-PHENYL-
BUTAN-2-OL
A1XRL0.72
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY50.73
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY80.73
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY90.73
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XXZ0.73
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY40.73
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY60.73
2CL(2,6-DICHLOROPHENYL)ACETIC ACIDA2IPW0.74
2CL(2,6-DICHLOROPHENYL)ACETIC ACIDA2IS70.74
LLG2-aminoethyl naphthalen-1-ylacetateA3BC40.72
FCL3-CHLORO-L-PHENYLALANINEE,F1OKW0.88
PFF4-FLUORO-L-PHENYLALANINEA3F3C0.78
PFF4-FLUORO-L-PHENYLALANINEA,C,E,F2UUE0.78
PFF4-FLUORO-L-PHENYLALANINEA1ZNT0.78
PFF4-FLUORO-L-PHENYLALANINEF,H1OL10.78
PFF4-FLUORO-L-PHENYLALANINEA,C,F,H2C5V0.78
PFF4-FLUORO-L-PHENYLALANINEE,F1OL20.78
NALBETA-(2-NAPHTHYL)-ALANINEA,B2ITK0.73
NALBETA-(2-NAPHTHYL)-ALANINEH,I4THN0.73
NALBETA-(2-NAPHTHYL)-ALANINEA,B2Q5A0.73
NALBETA-(2-NAPHTHYL)-ALANINEA1ZWU0.73
NALBETA-(2-NAPHTHYL)-ALANINEA1SKL0.73
NALBETA-(2-NAPHTHYL)-ALANINEH,I5GDS0.73
NALBETA-(2-NAPHTHYL)-ALANINEA1ZH00.73
NALBETA-(2-NAPHTHYL)-ALANINEA,B2JT90.73
PHMPHENYLALANYLMETHANEA,I1PJP0.73
PHMPHENYLALANYLMETHANEA,B,C2J9J0.73
PHMPHENYLALANYLMETHANEA,B,C2JE40.73
PSSETHYLAMINOBENZYLMETHYLCARBONYL GROUPA1EAG0.71
4BF4-BROMO-L-PHENYLALANINEA2AG60.74
PHAPHENYLALANINALA,B1OB20.74
PHAPHENYLALANINALV,Y,Z2WDG0.74
PHAPHENYLALANINALV,Y,Z2WDK0.74
PHAPHENYLALANINAL1,2,4,5,A,B,
C,D,E,J,K,L,
M,N,O,P,R,S,
T,U,V,Z
1M900.74
PHAPHENYLALANINALP3SGA0.74
PHAPHENYLALANINALA,B,C,D,E,F1OB50.74
PHAPHENYLALANINALV,Y,Z2WDM0.74
PHAPHENYLALANINAL0,2,4,9,A,B,
C,H,I,J,K,L,
M,N,P,Q,R,S,
T,X,Y,Z
1KQS0.74
PHAPHENYLALANINALA,B1KDV0.74
PHAPHENYLALANINAL1,2,4,5,6,A,
B,C,D,E,J,K,
L,M,N,O,P,R,
S,T,U,V,Z
1Q860.74
PHAPHENYLALANINALA,B1KDY0.74
PHAPHENYLALANINALV,Y,Z3FIC0.74
PHAPHENYLALANINALV,Y,Z2WDH0.74
PHAPHENYLALANINALA,B1KE20.74
2004-CHLORO-L-PHENYLALANINEA,B2AKW0.88
MEAN-METHYLPHENYLALANINEA2PIL0.77
MEAN-METHYLPHENYLALANINEA,B,C,D1H0I0.77
MEAN-METHYLPHENYLALANINEA,B,I1DOJ0.77
DPND-PHENYLALANINEP1MCS0.81
DPND-PHENYLALANINEA1GOE0.81
DPND-PHENYLALANINEA2RM90.81
DPND-PHENYLALANINEA1SOC0.81
DPND-PHENYLALANINEB,C,E,F1SFQ0.81
DPND-PHENYLALANINEI1ABJ0.81
DPND-PHENYLALANINEP1DWE0.81
DPND-PHENYLALANINEI,M1HLT0.81
DPND-PHENYLALANINEA,H,L1J9C0.81
DPND-PHENYLALANINEI,T1TMB0.81
DPND-PHENYLALANINEA2JRY0.81
DPND-PHENYLALANINEA2SOC0.81
DPND-PHENYLALANINEA2YYF0.81
DPND-PHENYLALANINEI2HGT0.81
DPND-PHENYLALANINEA,D2Q3I0.81
DPND-PHENYLALANINEA,P1MCD0.81
DPND-PHENYLALANINEP1HAO0.81
DPND-PHENYLALANINEA,B,I1Z8J0.81
DPND-PHENYLALANINEA,B,C2PGQ0.81
DPND-PHENYLALANINEC,D,H,I,L,M,
X,Y
1DVA0.81
DPND-PHENYLALANINEP1NRR0.81
DPND-PHENYLALANINEI1PPB0.81
DPND-PHENYLALANINEC,D,G,H1NU70.81
DPND-PHENYLALANINEI2HPP0.81
DPND-PHENYLALANINEB,C2OD30.81
DPND-PHENYLALANINEA1B0Q0.81
DPND-PHENYLALANINEB,C,E,F1NU90.81
DPND-PHENYLALANINEA,B,I1Z8I0.81
DPND-PHENYLALANINEH,I,J1TMU0.81
DPND-PHENYLALANINEA,B,C,D,E,F2DNS0.81
DPND-PHENYLALANINEA1GO90.81
DPND-PHENYLALANINEB,C,E,F1A0H0.81
DPND-PHENYLALANINEP1MCF0.81
DPND-PHENYLALANINEA2RME0.81
DPND-PHENYLALANINEH,I1TMT0.81
DPND-PHENYLALANINEI1ABI0.81
DPND-PHENYLALANINER1NRQ0.81
DPND-PHENYLALANINEB,C,F,G2A1D0.81
DPND-PHENYLALANINEA,B2Q330.81
DPND-PHENYLALANINEC,H,L1DAN0.81
DPND-PHENYLALANINEP1MCE0.81
DPND-PHENYLALANINEB,C,E,F2A450.81
DPND-PHENYLALANINEA2RMI0.81
DPND-PHENYLALANINEA,B,I1TQ70.81
DPND-PHENYLALANINEA1W7M0.81
DPND-PHENYLALANINEP1HAP0.81
DPND-PHENYLALANINEA,B1ORF0.81
DPND-PHENYLALANINEI1IHS0.81
DPND-PHENYLALANINEP1MCC0.81
DPND-PHENYLALANINEA2RMD0.81
DPND-PHENYLALANINEA2JQB0.81
DPND-PHENYLALANINEI2HPQ0.81
DPND-PHENYLALANINEC,E,F1SHH0.81
DPND-PHENYLALANINEA,I1CVR0.81
DPND-PHENYLALANINEL,P1AUT0.81
DPND-PHENYLALANINEP1MCI0.81
DPND-PHENYLALANINEH,I3F6U0.81
DPND-PHENYLALANINEA1BFW0.81
DPND-PHENYLALANINEH,I1HAI0.81
DPND-PHENYLALANINEB,C2THF0.81
DPND-PHENYLALANINEI1IHT0.81
DPND-PHENYLALANINEA,P1MCJ0.81
DPND-PHENYLALANINEA1TKH0.81
DPND-PHENYLALANINEC,H,L,T2FIR0.81
DPND-PHENYLALANINEA2FMZ0.81
DPND-PHENYLALANINEA1YL90.81
DPND-PHENYLALANINEI1HUT0.81
DPND-PHENYLALANINEI1FXY0.81
DPND-PHENYLALANINEA1YL80.81
DPND-PHENYLALANINEC,H,L1QFK0.81
DPND-PHENYLALANINEP1MCB0.81
SMF4-SULFOMETHYL-L-PHENYLALANINED,H1O0D0.71
SMF4-SULFOMETHYL-L-PHENYLALANINED,H2FES0.71
SMF4-SULFOMETHYL-L-PHENYLALANINEH,P2ANK0.71
SMF4-SULFOMETHYL-L-PHENYLALANINED,H2FEQ0.71
SMF4-SULFOMETHYL-L-PHENYLALANINEH,P2A2X0.71
SMF4-SULFOMETHYL-L-PHENYLALANINED,H1NZQ0.71
APMM-AMIDINOPHENYL-3-ALANINEE1PPH0.71
FTYDEOXY-DIFLUOROMETHELENE-PHOSPHOTYROSINEC,D1A080.72
FTYDEOXY-DIFLUOROMETHELENE-PHOSPHOTYROSINEC,D,E,F1QZ00.72
FTYDEOXY-DIFLUOROMETHELENE-PHOSPHOTYROSINEC,D,E,F1XXV0.72
FRFPHE-REDUCED-PHEA,I1GVX0.71
BIF(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACIDG,M,P,S1YYL0.76
BIF(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACIDG,M,P,S2I5Y0.76
PMEN-L-ALPHA-ASPARTYL L-PHENYLALANINE 1-
METHYL ESTER
H,L1A8J0.7
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A,B,M,N1FJM0.74
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A1EVA0.74
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A1LCM0.74
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A,B,C,D,E,F,
G,H
2NYM0.74
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
C,I2IE30.74
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
C,F,X,Y2NPP0.74
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A1EVC0.74
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
C,F,G,H3DW80.74
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A,B,C,D,E,F,
G,H
2NYL0.74
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A1EVD0.74
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A1EVB0.74
HPHPHENYLALANINDIOLI1E5O0.71
HPHPHENYLALANINDIOLA,B1ODX0.71
HPHPHENYLALANINDIOLA,B1MTB0.71
HPHPHENYLALANINDIOLA,B2FGV0.71
HPHPHENYLALANINDIOLA1ODW0.71
HPHPHENYLALANINDIOLA,B2FGU0.71
HPHPHENYLALANINDIOLA,B1HXB0.71
LHYL-[(N-HYDROXYAMINO)CARBONYL]PHENYLALANINEA,B,D,E1HEE0.7
FE34-(2-aminoethyl)-3-chlorobenzoic acidA,B2K1Q0.74
PHIIODO-PHENYLALANINEA1TF90.78
PHIIODO-PHENYLALANINEA,B,C,D1ORW0.78
PHIIODO-PHENYLALANINEA1T6H0.78
PHIIODO-PHENYLALANINEA,B,C1NLU0.78
PHIIODO-PHENYLALANINEA,I1GA10.78
PHIIODO-PHENYLALANINEA,I1GA40.78
PHIIODO-PHENYLALANINEP1CZI0.78
0A9methyl L-phenylalaninateA1AY20.87
0A9methyl L-phenylalaninateI5ER10.87
0A9methyl L-phenylalaninateI,P1HDT0.87
CLBD-PARA-CHLOROPHENYL-1-ACETAMIDOBORONIC ACID ALANINEA1VSB0.73
HMF2-AMINO-4-PHENYL-BUTYRIC ACIDI,J1AY60.79
ZYZ(4-{(2S)-2-[(tert-butoxycarbonyl)amino]-
3-methoxy-3-oxopropyl}phenyl)methaneseleninic acid
A3D9C0.73
IGLALPHA-AMINO-2-INDANACETIC ACIDA1BDK0.74
PM32-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)-
PROPIONIC ACID
A,L,M3FEA0.74
PM32-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)-
PROPIONIC ACID
P1CWD0.74
PM32-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)-
PROPIONIC ACID
L3FE70.74
PM32-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)-
PROPIONIC ACID
B2GV20.74
PM32-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)-
PROPIONIC ACID
B,D1CWE0.74
HPQHOMOPHENYLALANINYLMETHANEB1EWP0.71
4PH4-methyl-L-phenylalanineB,C3BV90.8
HPEHOMOPHENYLALANINEA,B1B1H0.79
1PAPHENYLMETHYLACETIC ACID ALANINEI1BHF0.76
PSA3-HYDROXY-4-AMINO-5-PHENYLPENTANOIC ACIDI1EPL0.75
PSA3-HYDROXY-4-AMINO-5-PHENYLPENTANOIC ACIDA,B,C,D2IFW0.75
PSA3-HYDROXY-4-AMINO-5-PHENYLPENTANOIC ACIDE,I1EPM0.75