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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02226975

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PHMPHENYLALANYLMETHANEA,I1PJP0.92
PHMPHENYLALANYLMETHANEA,B,C2J9J0.92
PHMPHENYLALANYLMETHANEA,B,C2JE40.92
HPQHOMOPHENYLALANINYLMETHANEB1EWP0.9
NFAPHENYLALANINE AMIDEA,B,C,D2BTJ0.87
NFAPHENYLALANINE AMIDEA,B,C,D,E,F2EFX0.87
NFAPHENYLALANINE AMIDEA,B,C,D2VVJ0.87
NFAPHENYLALANINE AMIDEA2A4O0.87
NFAPHENYLALANINE AMIDEA,B1XAE0.87
NFAPHENYLALANINE AMIDEA,B,C,D2OGR0.87
NFAPHENYLALANINE AMIDEA,B,C,D1QA70.87
NFAPHENYLALANINE AMIDEA,B,C,D2GW40.87
PHAPHENYLALANINALA,B1OB20.87
PHAPHENYLALANINALV,Y,Z2WDG0.87
PHAPHENYLALANINALV,Y,Z2WDK0.87
PHAPHENYLALANINAL1,2,4,5,A,B,
C,D,E,J,K,L,
M,N,O,P,R,S,
T,U,V,Z
1M900.87
PHAPHENYLALANINALP3SGA0.87
PHAPHENYLALANINALA,B,C,D,E,F1OB50.87
PHAPHENYLALANINALV,Y,Z2WDM0.87
PHAPHENYLALANINAL0,2,4,9,A,B,
C,H,I,J,K,L,
M,N,P,Q,R,S,
T,X,Y,Z
1KQS0.87
PHAPHENYLALANINALA,B1KDV0.87
PHAPHENYLALANINAL1,2,4,5,6,A,
B,C,D,E,J,K,
L,M,N,O,P,R,
S,T,U,V,Z
1Q860.87
PHAPHENYLALANINALA,B1KDY0.87
PHAPHENYLALANINALV,Y,Z3FIC0.87
PHAPHENYLALANINALV,Y,Z2WDH0.87
PHAPHENYLALANINALA,B1KE20.87
PCSPHENYLALANYLMETHYLCHLORIDEB,D1DLK0.85
PCSPHENYLALANYLMETHYLCHLORIDEA1XQX0.85
PSSETHYLAMINOBENZYLMETHYLCARBONYL GROUPA1EAG0.8
DPND-PHENYLALANINEP1MCS0.79
DPND-PHENYLALANINEA1GOE0.79
DPND-PHENYLALANINEA2RM90.79
DPND-PHENYLALANINEA1SOC0.79
DPND-PHENYLALANINEB,C,E,F1SFQ0.79
DPND-PHENYLALANINEI1ABJ0.79
DPND-PHENYLALANINEP1DWE0.79
DPND-PHENYLALANINEI,M1HLT0.79
DPND-PHENYLALANINEA,H,L1J9C0.79
DPND-PHENYLALANINEI,T1TMB0.79
DPND-PHENYLALANINEA2JRY0.79
DPND-PHENYLALANINEA2SOC0.79
DPND-PHENYLALANINEA2YYF0.79
DPND-PHENYLALANINEI2HGT0.79
DPND-PHENYLALANINEA,D2Q3I0.79
DPND-PHENYLALANINEA,P1MCD0.79
DPND-PHENYLALANINEP1HAO0.79
DPND-PHENYLALANINEA,B,I1Z8J0.79
DPND-PHENYLALANINEA,B,C2PGQ0.79
DPND-PHENYLALANINEC,D,H,I,L,M,
X,Y
1DVA0.79
DPND-PHENYLALANINEP1NRR0.79
DPND-PHENYLALANINEI1PPB0.79
DPND-PHENYLALANINEC,D,G,H1NU70.79
DPND-PHENYLALANINEI2HPP0.79
DPND-PHENYLALANINEB,C2OD30.79
DPND-PHENYLALANINEA1B0Q0.79
DPND-PHENYLALANINEB,C,E,F1NU90.79
DPND-PHENYLALANINEA,B,I1Z8I0.79
DPND-PHENYLALANINEH,I,J1TMU0.79
DPND-PHENYLALANINEA,B,C,D,E,F2DNS0.79
DPND-PHENYLALANINEA1GO90.79
DPND-PHENYLALANINEB,C,E,F1A0H0.79
DPND-PHENYLALANINEP1MCF0.79
DPND-PHENYLALANINEA2RME0.79
DPND-PHENYLALANINEH,I1TMT0.79
DPND-PHENYLALANINEI1ABI0.79
DPND-PHENYLALANINER1NRQ0.79
DPND-PHENYLALANINEB,C,F,G2A1D0.79
DPND-PHENYLALANINEA,B2Q330.79
DPND-PHENYLALANINEC,H,L1DAN0.79
DPND-PHENYLALANINEP1MCE0.79
DPND-PHENYLALANINEB,C,E,F2A450.79
DPND-PHENYLALANINEA2RMI0.79
DPND-PHENYLALANINEA,B,I1TQ70.79
DPND-PHENYLALANINEA1W7M0.79
DPND-PHENYLALANINEP1HAP0.79
DPND-PHENYLALANINEA,B1ORF0.79
DPND-PHENYLALANINEI1IHS0.79
DPND-PHENYLALANINEP1MCC0.79
DPND-PHENYLALANINEA2RMD0.79
DPND-PHENYLALANINEA2JQB0.79
DPND-PHENYLALANINEI2HPQ0.79
DPND-PHENYLALANINEC,E,F1SHH0.79
DPND-PHENYLALANINEA,I1CVR0.79
DPND-PHENYLALANINEL,P1AUT0.79
DPND-PHENYLALANINEP1MCI0.79
DPND-PHENYLALANINEH,I3F6U0.79
DPND-PHENYLALANINEA1BFW0.79
DPND-PHENYLALANINEH,I1HAI0.79
DPND-PHENYLALANINEB,C2THF0.79
DPND-PHENYLALANINEI1IHT0.79
DPND-PHENYLALANINEA,P1MCJ0.79
DPND-PHENYLALANINEA1TKH0.79
DPND-PHENYLALANINEC,H,L,T2FIR0.79
DPND-PHENYLALANINEA2FMZ0.79
DPND-PHENYLALANINEA1YL90.79
DPND-PHENYLALANINEI1HUT0.79
DPND-PHENYLALANINEI1FXY0.79
DPND-PHENYLALANINEA1YL80.79
DPND-PHENYLALANINEC,H,L1QFK0.79
DPND-PHENYLALANINEP1MCB0.79
IPOPARA-IODO-D-PHENYLALANINE HYDROXAMIC ACIDA1IGB0.79
FRD1-PHENYL-2-AMINOPROPANEA,C2AOI0.78
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOF0.78
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOJ0.78
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOH0.78
0A9methyl L-phenylalaninateA1AY20.78
0A9methyl L-phenylalaninateI5ER10.78
0A9methyl L-phenylalaninateI,P1HDT0.78
APF1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN-
2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)
B,C1GG60.78
APF1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN-
2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)
G6GCH0.78
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.78
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.78
4BF4-BROMO-L-PHENYLALANINEA2AG60.78
HPEHOMOPHENYLALANINEA,B1B1H0.77
HMF2-AMINO-4-PHENYL-BUTYRIC ACIDI,J1AY60.77
NAMNAM NAPTHYLAMINOALANINEA,B,I,J3FIV0.77
NAMNAM NAPTHYLAMINOALANINEA,B,I,J2FIV0.77
APD3-METHYLPHENYLALANINEA,B,C1GMY0.76
PFF4-FLUORO-L-PHENYLALANINEA3F3C0.76
PFF4-FLUORO-L-PHENYLALANINEA,C,E,F2UUE0.76
PFF4-FLUORO-L-PHENYLALANINEA1ZNT0.76
PFF4-FLUORO-L-PHENYLALANINEF,H1OL10.76
PFF4-FLUORO-L-PHENYLALANINEA,C,F,H2C5V0.76
PFF4-FLUORO-L-PHENYLALANINEE,F1OL20.76
PHIIODO-PHENYLALANINEA1TF90.76
PHIIODO-PHENYLALANINEA,B,C,D1ORW0.76
PHIIODO-PHENYLALANINEA1T6H0.76
PHIIODO-PHENYLALANINEA,B,C1NLU0.76
PHIIODO-PHENYLALANINEA,I1GA10.76
PHIIODO-PHENYLALANINEA,I1GA40.76
PHIIODO-PHENYLALANINEP1CZI0.76
4PH4-methyl-L-phenylalanineB,C3BV90.76
B2FPHENYLALANINE BORONIC ACIDA,P1GBM0.76
B2FPHENYLALANINE BORONIC ACIDA,P1GBD0.76
B2FPHENYLALANINE BORONIC ACIDA,P1P060.76
B2FPHENYLALANINE BORONIC ACIDA,P1GBI0.76
B2FPHENYLALANINE BORONIC ACIDA,P8LPR0.76
IOYP-IODO-D-PHENYLALANINEA1XBU0.76
PEA2-PHENYLETHYLAMINEA,B,E,F,G,H1MHW0.76
PEA2-PHENYLETHYLAMINEA1TNJ0.76
PEA2-PHENYLETHYLAMINED,H2HKM0.76
PEA2-PHENYLETHYLAMINEA1UTO0.76
PEA2-PHENYLETHYLAMINEA,B1D6Y0.76
PEA2-PHENYLETHYLAMINEA,B1D6Z0.76
PEA2-PHENYLETHYLAMINEA,B1D6U0.76
PEA2-PHENYLETHYLAMINEA1UTM0.76
CXAPHENYLALANINE-N-SULFONAMIDEA1IY70.75
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.75
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.75
PRA3-PHENYLPROPYLAMINEA1TNK0.75
PRA3-PHENYLPROPYLAMINEM1UTL0.75
PBN4-PHENYLBUTYLAMINEA1TNI0.75
PBN4-PHENYLBUTYLAMINEA1UTP0.75
1PAPHENYLMETHYLACETIC ACID ALANINEI1BHF0.74
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
4AF4-ACETYL-L-PHENYLALANINEA1ZH60.74
TPATRANS-2-PHENYLCYCLOPROPYLAMINEA1TNL0.74
TFQ4-(2,2,2-TRIFLUOROETHYL)-L-PHENYLALANINEA3D6V0.74
LPF1,1,1-TRIFLUORO-3-((N-ACETYL)-L-
LEUCYLAMIDO)-4-PHENYL-BUTAN-2-ONE(N-
ACETYL-L-LEUCYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)
G7GCH0.74
ZAEN-methyl-D-phenylalanineH,I,R1TBZ0.73
PG9D-PHENYLGLYCINEA,B,G,H10GS0.73
PG9D-PHENYLGLYCINEA,B,C,D2B4K0.73
MEAN-METHYLPHENYLALANINEA2PIL0.73
MEAN-METHYLPHENYLALANINEA,B,C,D1H0I0.73
MEAN-METHYLPHENYLALANINEA,B,I1DOJ0.73
FAF2-ACETYLAMINO-4-METHYL-PENTANOIC ACID (1-
FORMYL-2-PHENYL-ETHYL)-AMIDE
B,C1GGD0.72
5FH(5S)-5-benzylimidazolidine-2,4-
dione
A2JLO0.72
HIN(2S) N-ACETYL-L-ALANYL-ALPHAL-PHENYLALANYL-
CHLOROETHYLKETONE
B2GMT0.72
PBFPARA-(BENZOYL)-PHENYLALANINEA2FR90.72
PBFPARA-(BENZOYL)-PHENYLALANINEA,B1EEN0.72
PBFPARA-(BENZOYL)-PHENYLALANINEA2HGZ0.72
PBFPARA-(BENZOYL)-PHENYLALANINEA2FRB0.72
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
PDH(2S)-2-AMINO-3-PHENYL-1-PROPANOLA1GQ00.71
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
IGLALPHA-AMINO-2-INDANACETIC ACIDA1BDK0.71
T16BOROLOG2H1A3E0.71
PSA3-HYDROXY-4-AMINO-5-PHENYLPENTANOIC ACIDI1EPL0.71
PSA3-HYDROXY-4-AMINO-5-PHENYLPENTANOIC ACIDA,B,C,D2IFW0.71
PSA3-HYDROXY-4-AMINO-5-PHENYLPENTANOIC ACIDE,I1EPM0.71
JNH1-[2-(S)-AMINO-3-BIPHENYL-4-YL-
PROPIONYL]-PYRROLIDINE-2-(S)-CARBONITRILE
I,J2AJL0.71
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
A,B,I1ZSR0.71
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1ZJ70.71
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1ZLF0.71
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1HEG0.71
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1FQX0.71
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
A,B,I1IIQ0.71
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1HEF0.71
FCL3-CHLORO-L-PHENYLALANINEE,F1OKW0.71
EOAN-PHENETHYL-FORMAMIDEH,I1A5G0.71
2004-CHLORO-L-PHENYLALANINEA,B2AKW0.71
HBC(2-AMINO-3-PHENYL-BICYCLO[2.2.1]HEPT-
2-YL)-PHENYL-METHANONE
H1JGU0.71
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1ZSF0.71
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A1JLD0.71
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B1IDA0.71
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B1IDB0.71
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1Z8C0.71
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1ZBG0.71
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1ZPK0.71
DI5AC-(D)PHE-PRO-BOROHOMOORNITHINE-
OH
H1LHG0.7
PLHMETHYLAMINO-PHENYLALANYL-LEUCYL-
HYDROXAMIC ACID
A1HFC0.7
PLHMETHYLAMINO-PHENYLALANYL-LEUCYL-
HYDROXAMIC ACID
A1MNC0.7
IPP(P-IODOPHENYLACETYLAMINO)METHYLPHOSPHINIC ACIDA,B1BLS0.7
ALNNAPHTHALEN-2-YL-3-ALANINEA,B,I,J2FIV0.7
ALNNAPHTHALEN-2-YL-3-ALANINEA,B1B0H0.7
ALNNAPHTHALEN-2-YL-3-ALANINEB1FIV0.7
ALNNAPHTHALEN-2-YL-3-ALANINEA,B,I,J3FIV0.7
FOG(4S,5S)-5-amino-4-hydroxy-6-phenylhexanoic acidI1EED0.7
NALBETA-(2-NAPHTHYL)-ALANINEA,B2ITK0.7
NALBETA-(2-NAPHTHYL)-ALANINEH,I4THN0.7
NALBETA-(2-NAPHTHYL)-ALANINEA,B2Q5A0.7
NALBETA-(2-NAPHTHYL)-ALANINEA1ZWU0.7
NALBETA-(2-NAPHTHYL)-ALANINEA1SKL0.7
NALBETA-(2-NAPHTHYL)-ALANINEH,I5GDS0.7
NALBETA-(2-NAPHTHYL)-ALANINEA1ZH00.7
NALBETA-(2-NAPHTHYL)-ALANINEA,B2JT90.7
ABNBENZYLAMINED,H2HXC0.7
ABNBENZYLAMINEA,I1A860.7
ABNBENZYLAMINEA1UTN0.7
ABNBENZYLAMINEA1N6X0.7
ABNBENZYLAMINEA2BZA0.7
ABNBENZYLAMINEA2EUS0.7
ABNBENZYLAMINEA1N6Y0.7
ABNBENZYLAMINEA1UTJ0.7
FPA1,1 DIFLUORO-N-PHENYLETHYL ACETAMIDEE,I4EST0.7
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidA1OS00.7
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidE,I4TMN0.7
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidS1CGH0.7