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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02217371

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
ZAEN-methyl-D-phenylalanineH,I,R1TBZ0.74
APLN-(1-BENZYL-3,3,3-TRIFLUORO-2,2-
DIHYDROXY-PROPYL)-ACETAMIDE
B,C1GG60.75
BASN-(1-PHENYL-PROPYL)-FORMAMIDEE,F,G,H1NJU0.74
BASN-(1-PHENYL-PROPYL)-FORMAMIDEY,Z1JQ70.74
BASN-(1-PHENYL-PROPYL)-FORMAMIDEC1NKM0.74
BNFN-BENZYLFORMAMIDEA,B1U3U0.73
4PH4-methyl-L-phenylalanineB,C3BV90.7
412(R)-1-(4-(4-(HYDROXYMETHYL)-1,3,2-
DIOXABOROLAN-2-YL)PHENETHYL)GUANIDINE
A1ZML0.72
HPQHOMOPHENYLALANINYLMETHANEB1EWP0.75
4AF4-ACETYL-L-PHENYLALANINEA1ZH60.7
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.72
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.72
GG3{1-HYDROXY-3-[METHYL(4-PHENYLBUTYL)AMINO]PROPANE-
1,1-DIYL}BIS(PHOSPHONIC ACID)
A,B2P1C0.71
GG3{1-HYDROXY-3-[METHYL(4-PHENYLBUTYL)AMINO]PROPANE-
1,1-DIYL}BIS(PHOSPHONIC ACID)
A,B2Z7H0.71
M25N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDEA,B2NMX0.71
M25N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDEA2NNS0.71
EOAN-PHENETHYL-FORMAMIDEH,I1A5G0.78
4FP4-(4-FLUOROBENZYL)PIPERIDINEA2OHN0.71
SRDD-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACIDB,C4VGC0.73
CPUA,B1CR60.7
APE(1-AMINO-2-PHENYL-ETHYL)-CARBAMIC ACIDE,I1SCN0.8
SB7[HYDROXY(3-PHENYLPROPYL)AMINO]METHANOLA2AI70.75
SB7[HYDROXY(3-PHENYLPROPYL)AMINO]METHANOLA,B,C2AI80.75
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
A,B,I1ZSR0.73
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1ZJ70.73
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1ZLF0.73
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1HEG0.73
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1FQX0.73
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
A,B,I1IIQ0.73
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1HEF0.73
DPKDEPRENYLA,B2BYB0.71
PSSETHYLAMINOBENZYLMETHYLCARBONYL GROUPA1EAG0.74
271N-methyl-1-phenylmethanamineX2RBT0.76
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1ZSF0.73
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A1JLD0.73
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B1IDA0.73
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B1IDB0.73
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1Z8C0.73
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1ZBG0.73
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1ZPK0.73
SRBL-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACIDB,C3VGC0.73
FRD1-PHENYL-2-AMINOPROPANEA,C2AOI0.75
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOF0.75
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOJ0.75
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOH0.75
V35D-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACIDB,C2VGC0.75
MN21-CARBOXYETHYLAMINOMETHYL-4-AMINOMETHYLBENZENEN1NLO0.75
RRT(R)-RETRO-THIORPHANE1Z9G0.71
B2FPHENYLALANINE BORONIC ACIDA,P1GBM0.79
B2FPHENYLALANINE BORONIC ACIDA,P1GBD0.79
B2FPHENYLALANINE BORONIC ACIDA,P1P060.79
B2FPHENYLALANINE BORONIC ACIDA,P1GBI0.79
B2FPHENYLALANINE BORONIC ACIDA,P8LPR0.79
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.75
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.75
APD3-METHYLPHENYLALANINEA,B,C1GMY0.7
K7IL-alanyl-N-[(1S,2R)-1-benzyl-2-
hydroxypropyl]-L-alaninamide
A,B2QXG0.71
LPF1,1,1-TRIFLUORO-3-((N-ACETYL)-L-
LEUCYLAMIDO)-4-PHENYL-BUTAN-2-ONE(N-
ACETYL-L-LEUCYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)
G7GCH0.7
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
PDH(2S)-2-AMINO-3-PHENYL-1-PROPANOLA1GQ00.72
IPP(P-IODOPHENYLACETYLAMINO)METHYLPHOSPHINIC ACIDA,B1BLS0.71
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidA1OS00.73
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidE,I4TMN0.73
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidS1CGH0.73
DPND-PHENYLALANINEP1MCS0.71
DPND-PHENYLALANINEA1GOE0.71
DPND-PHENYLALANINEA2RM90.71
DPND-PHENYLALANINEA1SOC0.71
DPND-PHENYLALANINEB,C,E,F1SFQ0.71
DPND-PHENYLALANINEI1ABJ0.71
DPND-PHENYLALANINEP1DWE0.71
DPND-PHENYLALANINEI,M1HLT0.71
DPND-PHENYLALANINEA,H,L1J9C0.71
DPND-PHENYLALANINEI,T1TMB0.71
DPND-PHENYLALANINEA2JRY0.71
DPND-PHENYLALANINEA2SOC0.71
DPND-PHENYLALANINEA2YYF0.71
DPND-PHENYLALANINEI2HGT0.71
DPND-PHENYLALANINEA,D2Q3I0.71
DPND-PHENYLALANINEA,P1MCD0.71
DPND-PHENYLALANINEP1HAO0.71
DPND-PHENYLALANINEA,B,I1Z8J0.71
DPND-PHENYLALANINEA,B,C2PGQ0.71
DPND-PHENYLALANINEC,D,H,I,L,M,
X,Y
1DVA0.71
DPND-PHENYLALANINEP1NRR0.71
DPND-PHENYLALANINEI1PPB0.71
DPND-PHENYLALANINEC,D,G,H1NU70.71
DPND-PHENYLALANINEI2HPP0.71
DPND-PHENYLALANINEB,C2OD30.71
DPND-PHENYLALANINEA1B0Q0.71
DPND-PHENYLALANINEB,C,E,F1NU90.71
DPND-PHENYLALANINEA,B,I1Z8I0.71
DPND-PHENYLALANINEH,I,J1TMU0.71
DPND-PHENYLALANINEA,B,C,D,E,F2DNS0.71
DPND-PHENYLALANINEA1GO90.71
DPND-PHENYLALANINEB,C,E,F1A0H0.71
DPND-PHENYLALANINEP1MCF0.71
DPND-PHENYLALANINEA2RME0.71
DPND-PHENYLALANINEH,I1TMT0.71
DPND-PHENYLALANINEI1ABI0.71
DPND-PHENYLALANINER1NRQ0.71
DPND-PHENYLALANINEB,C,F,G2A1D0.71
DPND-PHENYLALANINEA,B2Q330.71
DPND-PHENYLALANINEC,H,L1DAN0.71
DPND-PHENYLALANINEP1MCE0.71
DPND-PHENYLALANINEB,C,E,F2A450.71
DPND-PHENYLALANINEA2RMI0.71
DPND-PHENYLALANINEA,B,I1TQ70.71
DPND-PHENYLALANINEA1W7M0.71
DPND-PHENYLALANINEP1HAP0.71
DPND-PHENYLALANINEA,B1ORF0.71
DPND-PHENYLALANINEI1IHS0.71
DPND-PHENYLALANINEP1MCC0.71
DPND-PHENYLALANINEA2RMD0.71
DPND-PHENYLALANINEA2JQB0.71
DPND-PHENYLALANINEI2HPQ0.71
DPND-PHENYLALANINEC,E,F1SHH0.71
DPND-PHENYLALANINEA,I1CVR0.71
DPND-PHENYLALANINEL,P1AUT0.71
DPND-PHENYLALANINEP1MCI0.71
DPND-PHENYLALANINEH,I3F6U0.71
DPND-PHENYLALANINEA1BFW0.71
DPND-PHENYLALANINEH,I1HAI0.71
DPND-PHENYLALANINEB,C2THF0.71
DPND-PHENYLALANINEI1IHT0.71
DPND-PHENYLALANINEA,P1MCJ0.71
DPND-PHENYLALANINEA1TKH0.71
DPND-PHENYLALANINEC,H,L,T2FIR0.71
DPND-PHENYLALANINEA2FMZ0.71
DPND-PHENYLALANINEA1YL90.71
DPND-PHENYLALANINEI1HUT0.71
DPND-PHENYLALANINEI1FXY0.71
DPND-PHENYLALANINEA1YL80.71
DPND-PHENYLALANINEC,H,L1QFK0.71
DPND-PHENYLALANINEP1MCB0.71
RM1N-METHYL-1(R)-AMINOINDANA,B2C670.71
HPHPHENYLALANINDIOLI1E5O0.71
HPHPHENYLALANINDIOLA,B1ODX0.71
HPHPHENYLALANINDIOLA,B1MTB0.71
HPHPHENYLALANINDIOLA,B2FGV0.71
HPHPHENYLALANINDIOLA1ODW0.71
HPHPHENYLALANINDIOLA,B2FGU0.71
HPHPHENYLALANINDIOLA,B1HXB0.71
PHLL-PHENYLALANINOLA,B1JOH0.72
PHLL-PHENYLALANINOLI3APR0.72
PHLL-PHENYLALANINOLA1DLZ0.72
PHLL-PHENYLALANINOLA1IH90.72
PHLL-PHENYLALANINOLA1OB40.72
PHLL-PHENYLALANINOLI2ER60.72
PHLL-PHENYLALANINOLA1R9U0.72
PHLL-PHENYLALANINOLA1OB70.72
PHLL-PHENYLALANINOLA,B1OB60.72
PHLL-PHENYLALANINOLA,B,C1AMT0.72
BACN-(4-IODO-BENZYL)-FORMAMIDEA,B,C,D2WPO0.7
FPA1,1 DIFLUORO-N-PHENYLETHYL ACETAMIDEE,I4EST0.77
V36L-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACIDB,C1VGC0.75
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
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
MEAN-METHYLPHENYLALANINEA2PIL0.74
MEAN-METHYLPHENYLALANINEA,B,C,D1H0I0.74
MEAN-METHYLPHENYLALANINEA,B,I1DOJ0.74
PRA3-PHENYLPROPYLAMINEA1TNK0.74
PRA3-PHENYLPROPYLAMINEM1UTL0.74
APF1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN-
2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)
B,C1GG60.74
APF1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN-
2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)
G6GCH0.74
PBN4-PHENYLBUTYLAMINEA1TNI0.74
PBN4-PHENYLBUTYLAMINEA1UTP0.74
PHMPHENYLALANYLMETHANEA,I1PJP0.77
PHMPHENYLALANYLMETHANEA,B,C2J9J0.77
PHMPHENYLALANYLMETHANEA,B,C2JE40.77