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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03016965

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
INGD-[(AMINO)CARBONYL]PHENYLALANINEA,B1UF80.7
INGD-[(AMINO)CARBONYL]PHENYLALANINEA,B,D,E1HDU0.7
IPOPARA-IODO-D-PHENYLALANINE HYDROXAMIC ACIDA1IGB0.78
CXAPHENYLALANINE-N-SULFONAMIDEA1IY70.75
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
DPND-PHENYLALANINEP1MCS0.77
DPND-PHENYLALANINEA1GOE0.77
DPND-PHENYLALANINEA2RM90.77
DPND-PHENYLALANINEA1SOC0.77
DPND-PHENYLALANINEB,C,E,F1SFQ0.77
DPND-PHENYLALANINEI1ABJ0.77
DPND-PHENYLALANINEP1DWE0.77
DPND-PHENYLALANINEI,M1HLT0.77
DPND-PHENYLALANINEA,H,L1J9C0.77
DPND-PHENYLALANINEI,T1TMB0.77
DPND-PHENYLALANINEA2JRY0.77
DPND-PHENYLALANINEA2SOC0.77
DPND-PHENYLALANINEA2YYF0.77
DPND-PHENYLALANINEI2HGT0.77
DPND-PHENYLALANINEA,D2Q3I0.77
DPND-PHENYLALANINEA,P1MCD0.77
DPND-PHENYLALANINEP1HAO0.77
DPND-PHENYLALANINEA,B,I1Z8J0.77
DPND-PHENYLALANINEA,B,C2PGQ0.77
DPND-PHENYLALANINEC,D,H,I,L,M,
X,Y
1DVA0.77
DPND-PHENYLALANINEP1NRR0.77
DPND-PHENYLALANINEI1PPB0.77
DPND-PHENYLALANINEC,D,G,H1NU70.77
DPND-PHENYLALANINEI2HPP0.77
DPND-PHENYLALANINEB,C2OD30.77
DPND-PHENYLALANINEA1B0Q0.77
DPND-PHENYLALANINEB,C,E,F1NU90.77
DPND-PHENYLALANINEA,B,I1Z8I0.77
DPND-PHENYLALANINEH,I,J1TMU0.77
DPND-PHENYLALANINEA,B,C,D,E,F2DNS0.77
DPND-PHENYLALANINEA1GO90.77
DPND-PHENYLALANINEB,C,E,F1A0H0.77
DPND-PHENYLALANINEP1MCF0.77
DPND-PHENYLALANINEA2RME0.77
DPND-PHENYLALANINEH,I1TMT0.77
DPND-PHENYLALANINEI1ABI0.77
DPND-PHENYLALANINER1NRQ0.77
DPND-PHENYLALANINEB,C,F,G2A1D0.77
DPND-PHENYLALANINEA,B2Q330.77
DPND-PHENYLALANINEC,H,L1DAN0.77
DPND-PHENYLALANINEP1MCE0.77
DPND-PHENYLALANINEB,C,E,F2A450.77
DPND-PHENYLALANINEA2RMI0.77
DPND-PHENYLALANINEA,B,I1TQ70.77
DPND-PHENYLALANINEA1W7M0.77
DPND-PHENYLALANINEP1HAP0.77
DPND-PHENYLALANINEA,B1ORF0.77
DPND-PHENYLALANINEI1IHS0.77
DPND-PHENYLALANINEP1MCC0.77
DPND-PHENYLALANINEA2RMD0.77
DPND-PHENYLALANINEA2JQB0.77
DPND-PHENYLALANINEI2HPQ0.77
DPND-PHENYLALANINEC,E,F1SHH0.77
DPND-PHENYLALANINEA,I1CVR0.77
DPND-PHENYLALANINEL,P1AUT0.77
DPND-PHENYLALANINEP1MCI0.77
DPND-PHENYLALANINEH,I3F6U0.77
DPND-PHENYLALANINEA1BFW0.77
DPND-PHENYLALANINEH,I1HAI0.77
DPND-PHENYLALANINEB,C2THF0.77
DPND-PHENYLALANINEI1IHT0.77
DPND-PHENYLALANINEA,P1MCJ0.77
DPND-PHENYLALANINEA1TKH0.77
DPND-PHENYLALANINEC,H,L,T2FIR0.77
DPND-PHENYLALANINEA2FMZ0.77
DPND-PHENYLALANINEA1YL90.77
DPND-PHENYLALANINEI1HUT0.77
DPND-PHENYLALANINEI1FXY0.77
DPND-PHENYLALANINEA1YL80.77
DPND-PHENYLALANINEC,H,L1QFK0.77
DPND-PHENYLALANINEP1MCB0.77
FOG(4S,5S)-5-amino-4-hydroxy-6-phenylhexanoic acidI1EED0.74
PHIIODO-PHENYLALANINEA1TF90.8
PHIIODO-PHENYLALANINEA,B,C,D1ORW0.8
PHIIODO-PHENYLALANINEA1T6H0.8
PHIIODO-PHENYLALANINEA,B,C1NLU0.8
PHIIODO-PHENYLALANINEA,I1GA10.8
PHIIODO-PHENYLALANINEA,I1GA40.8
PHIIODO-PHENYLALANINEP1CZI0.8
0A9methyl L-phenylalaninateA1AY20.73
0A9methyl L-phenylalaninateI5ER10.73
0A9methyl L-phenylalaninateI,P1HDT0.73
GB2(2R,3R,4S)-2-({[(1S)-2-HYDROXY-
1-PHENYLETHYL]AMINO}METHYL)PYRROLIDINE-
3,4-DIOL
A2F1A0.74
PM32-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)-
PROPIONIC ACID
A,L,M3FEA0.71
PM32-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)-
PROPIONIC ACID
P1CWD0.71
PM32-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)-
PROPIONIC ACID
L3FE70.71
PM32-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)-
PROPIONIC ACID
B2GV20.71
PM32-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)-
PROPIONIC ACID
B,D1CWE0.71
1PAPHENYLMETHYLACETIC ACID ALANINEI1BHF0.73
FRFPHE-REDUCED-PHEA,I1GVX0.7
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.7
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.7
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
GB1(2R,3R,4S)-2-({[(1R)-2-HYDROXY-
1-PHENYLETHYL]AMINO}METHYL)PYRROLIDINE-
3,4-DIOL
A2F180.74
PG9D-PHENYLGLYCINEA,B,G,H10GS0.72
PG9D-PHENYLGLYCINEA,B,C,D2B4K0.72
ZAEN-methyl-D-phenylalanineH,I,R1TBZ0.72
LHYL-[(N-HYDROXYAMINO)CARBONYL]PHENYLALANINEA,B,D,E1HEE0.71
TA2(2R,3S)-3-AMINO-3-PHENYLPROPANE-
1,2-DIOL
A,B2IFR0.81
4PH4-methyl-L-phenylalanineB,C3BV90.75
AEG4-[(2R)-2-aminopropyl]phenolA3BUF0.71
4BF4-BROMO-L-PHENYLALANINEA2AG60.71
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGT0.72
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG20.72
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B2AN40.72
K7IL-alanyl-N-[(1S,2R)-1-benzyl-2-
hydroxypropyl]-L-alaninamide
A,B2QXG0.75
B2FPHENYLALANINE BORONIC ACIDA,P1GBM0.75
B2FPHENYLALANINE BORONIC ACIDA,P1GBD0.75
B2FPHENYLALANINE BORONIC ACIDA,P1P060.75
B2FPHENYLALANINE BORONIC ACIDA,P1GBI0.75
B2FPHENYLALANINE BORONIC ACIDA,P8LPR0.75
BIF(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACIDG,M,P,S1YYL0.73
BIF(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACIDG,M,P,S2I5Y0.73
FRD1-PHENYL-2-AMINOPROPANEA,C2AOI0.73
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOF0.73
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOJ0.73
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOH0.73
PEL2-PHENYL-ETHANOLA,B1I0D0.71
PEL2-PHENYL-ETHANOLD,H2I0T0.71
PEL2-PHENYL-ETHANOLA,B1HZY0.71
PEL2-PHENYL-ETHANOLA,B1I0B0.71
PEL2-PHENYL-ETHANOLA1EYW0.71
PEL2-PHENYL-ETHANOLA,B1JGM0.71
APLN-(1-BENZYL-3,3,3-TRIFLUORO-2,2-
DIHYDROXY-PROPYL)-ACETAMIDE
B,C1GG60.72
SB7[HYDROXY(3-PHENYLPROPYL)AMINO]METHANOLA2AI70.74
SB7[HYDROXY(3-PHENYLPROPYL)AMINO]METHANOLA,B,C2AI80.74
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG20.72
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG10.72
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RH00.72
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGU0.72
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGT0.72
TFQ4-(2,2,2-TRIFLUOROETHYL)-L-PHENYLALANINEA3D6V0.73
PRA3-PHENYLPROPYLAMINEA1TNK0.7
PRA3-PHENYLPROPYLAMINEM1UTL0.7
PBN4-PHENYLBUTYLAMINEA1TNI0.7
PBN4-PHENYLBUTYLAMINEA1UTP0.7
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.73
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.73
PHK(2R,3S)-3-AMINO-1-CHLORO-4-PHENYL-
BUTAN-2-OL
A1MU00.8
PHK(2R,3S)-3-AMINO-1-CHLORO-4-PHENYL-
BUTAN-2-OL
A1XRL0.8
FCL3-CHLORO-L-PHENYLALANINEE,F1OKW0.71
INFD-[(N-HYDROXYAMINO)CARBONYL]PHENYLALANINEA1HDQ0.71
HPHPHENYLALANINDIOLI1E5O0.87
HPHPHENYLALANINDIOLA,B1ODX0.87
HPHPHENYLALANINDIOLA,B1MTB0.87
HPHPHENYLALANINDIOLA,B2FGV0.87
HPHPHENYLALANINDIOLA1ODW0.87
HPHPHENYLALANINDIOLA,B2FGU0.87
HPHPHENYLALANINDIOLA,B1HXB0.87
NFAPHENYLALANINE AMIDEA,B,C,D2BTJ0.7
NFAPHENYLALANINE AMIDEA,B,C,D,E,F2EFX0.7
NFAPHENYLALANINE AMIDEA,B,C,D2VVJ0.7
NFAPHENYLALANINE AMIDEA2A4O0.7
NFAPHENYLALANINE AMIDEA,B1XAE0.7
NFAPHENYLALANINE AMIDEA,B,C,D2OGR0.7
NFAPHENYLALANINE AMIDEA,B,C,D1QA70.7
NFAPHENYLALANINE AMIDEA,B,C,D2GW40.7
MEAN-METHYLPHENYLALANINEA2PIL0.72
MEAN-METHYLPHENYLALANINEA,B,C,D1H0I0.72
MEAN-METHYLPHENYLALANINEA,B,I1DOJ0.72
COR2,4-DIAMINO-1,5-DIPHENYL-3-HYDROXYPENTANEA9HVP0.82
IGLALPHA-AMINO-2-INDANACETIC ACIDA1BDK0.7
2004-CHLORO-L-PHENYLALANINEA,B2AKW0.71
TTLTRANS-(1S,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN-
1-OL
A,B2AN50.76
GB3(2R,3R,4S,5R)-2-({[(1R)-2-HYDROXY-
1-PHENYLETHYL]AMINO}METHYL)-5-METHYLPYRROLIDINE-
3,4-DIOL
A2F1B0.73
PDH(2S)-2-AMINO-3-PHENYL-1-PROPANOLA1GQ00.89
PHLL-PHENYLALANINOLA,B1JOH0.89
PHLL-PHENYLALANINOLI3APR0.89
PHLL-PHENYLALANINOLA1DLZ0.89
PHLL-PHENYLALANINOLA1IH90.89
PHLL-PHENYLALANINOLA1OB40.89
PHLL-PHENYLALANINOLI2ER60.89
PHLL-PHENYLALANINOLA1R9U0.89
PHLL-PHENYLALANINOLA1OB70.89
PHLL-PHENYLALANINOLA,B1OB60.89
PHLL-PHENYLALANINOLA,B,C1AMT0.89
PFF4-FLUORO-L-PHENYLALANINEA3F3C0.75
PFF4-FLUORO-L-PHENYLALANINEA,C,E,F2UUE0.75
PFF4-FLUORO-L-PHENYLALANINEA1ZNT0.75
PFF4-FLUORO-L-PHENYLALANINEF,H1OL10.75
PFF4-FLUORO-L-PHENYLALANINEA,C,F,H2C5V0.75
PFF4-FLUORO-L-PHENYLALANINEE,F1OL20.75
PHAPHENYLALANINALA,B1OB20.7
PHAPHENYLALANINALV,Y,Z2WDG0.7
PHAPHENYLALANINALV,Y,Z2WDK0.7
PHAPHENYLALANINAL1,2,4,5,A,B,
C,D,E,J,K,L,
M,N,O,P,R,S,
T,U,V,Z
1M900.7
PHAPHENYLALANINALP3SGA0.7
PHAPHENYLALANINALA,B,C,D,E,F1OB50.7
PHAPHENYLALANINALV,Y,Z2WDM0.7
PHAPHENYLALANINAL0,2,4,9,A,B,
C,H,I,J,K,L,
M,N,P,Q,R,S,
T,X,Y,Z
1KQS0.7
PHAPHENYLALANINALA,B1KDV0.7
PHAPHENYLALANINAL1,2,4,5,6,A,
B,C,D,E,J,K,
L,M,N,O,P,R,
S,T,U,V,Z
1Q860.7
PHAPHENYLALANINALA,B1KDY0.7
PHAPHENYLALANINALV,Y,Z3FIC0.7
PHAPHENYLALANINALV,Y,Z2WDH0.7
PHAPHENYLALANINALA,B1KE20.7
APD3-METHYLPHENYLALANINEA,B,C1GMY0.75
PEA2-PHENYLETHYLAMINEA,B,E,F,G,H1MHW0.71
PEA2-PHENYLETHYLAMINEA1TNJ0.71
PEA2-PHENYLETHYLAMINED,H2HKM0.71
PEA2-PHENYLETHYLAMINEA1UTO0.71
PEA2-PHENYLETHYLAMINEA,B1D6Y0.71
PEA2-PHENYLETHYLAMINEA,B1D6Z0.71
PEA2-PHENYLETHYLAMINEA,B1D6U0.71
PEA2-PHENYLETHYLAMINEA1UTM0.71
IOYP-IODO-D-PHENYLALANINEA1XBU0.8
AHT4-(2,5-DIAMINO-5-HYDROXY-PENTYL)-
PHENOL
I,T1TMB0.75
CTLCIS-(1R,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN-
1-OL
A,B2AN30.76
HMF2-AMINO-4-PHENYL-BUTYRIC ACIDI,J1AY60.76
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
HPEHOMOPHENYLALANINEA,B1B1H0.76