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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02860907

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
0A9methyl L-phenylalaninateA1AY20.75
0A9methyl L-phenylalaninateI5ER10.75
0A9methyl L-phenylalaninateI,P1HDT0.75
HPHPHENYLALANINDIOLI1E5O0.72
HPHPHENYLALANINDIOLA,B1ODX0.72
HPHPHENYLALANINDIOLA,B1MTB0.72
HPHPHENYLALANINDIOLA,B2FGV0.72
HPHPHENYLALANINDIOLA1ODW0.72
HPHPHENYLALANINDIOLA,B2FGU0.72
HPHPHENYLALANINDIOLA,B1HXB0.72
BTP2-THIOMETHYL-3-PHENYLPROPANOIC ACIDA,B1JAO0.73
4PH4-methyl-L-phenylalanineB,C3BV90.78
FTYDEOXY-DIFLUOROMETHELENE-PHOSPHOTYROSINEC,D1A080.71
FTYDEOXY-DIFLUOROMETHELENE-PHOSPHOTYROSINEC,D,E,F1QZ00.71
FTYDEOXY-DIFLUOROMETHELENE-PHOSPHOTYROSINEC,D,E,F1XXV0.71
M5P(S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACIDA,B2YZ30.72
APMM-AMIDINOPHENYL-3-ALANINEE1PPH0.7
FRFPHE-REDUCED-PHEA,I1GVX0.7
PNMOPEN FORM - PENICILLIN GA1GHP0.72
PNMOPEN FORM - PENICILLIN GA1PWC0.72
PNMOPEN FORM - PENICILLIN GA1IYQ0.72
PNMOPEN FORM - PENICILLIN GA1FQG0.72
PNMOPEN FORM - PENICILLIN GA,B,C,D2J8Y0.72
PNMOPEN FORM - PENICILLIN GA,B,C,D2JBF0.72
PNMOPEN FORM - PENICILLIN GA2EX80.72
TI1[2(R,S)-2-SULFANYLHEPTANOYL]-PHE-
ALA
A1R1I0.73
TI1[2(R,S)-2-SULFANYLHEPTANOYL]-PHE-
ALA
A1QF10.73
ZAEN-methyl-D-phenylalanineH,I,R1TBZ0.75
ISA3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACIDA1NX30.72
ISA3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACIDA,B1ALW0.72
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
IOYP-IODO-D-PHENYLALANINEA1XBU0.78
NDFN-(CARBOXYCARBONYL)-D-PHENYLALANINEA1YCI0.71
4AF4-ACETYL-L-PHENYLALANINEA1ZH60.73
CS4S-[3-(3,4-DICHLOROPHENYL)-3-OXOPROPYL]-
L-CYSTEINE
A2OQZ0.76
FCL3-CHLORO-L-PHENYLALANINEE,F1OKW0.73
PHMPHENYLALANYLMETHANEA,I1PJP0.71
PHMPHENYLALANYLMETHANEA,B,C2J9J0.71
PHMPHENYLALANYLMETHANEA,B,C2JE40.71
RRT(R)-RETRO-THIORPHANE1Z9G0.75
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
PNNPENICILLIN GA,B1GM70.7
PNNPENICILLIN GB1FXV0.7
PNNPENICILLIN GA1UOF0.7
PNNPENICILLIN GA1UOB0.7
TFQ4-(2,2,2-TRIFLUOROETHYL)-L-PHENYLALANINEA3D6V0.76
2004-CHLORO-L-PHENYLALANINEA,B2AKW0.73
ALNNAPHTHALEN-2-YL-3-ALANINEA,B,I,J2FIV0.72
ALNNAPHTHALEN-2-YL-3-ALANINEA,B1B0H0.72
ALNNAPHTHALEN-2-YL-3-ALANINEB1FIV0.72
ALNNAPHTHALEN-2-YL-3-ALANINEA,B,I,J3FIV0.72
CS3S-[3-OXO-3-(2-THIENYL)PROPYL]-L-
CYSTEINE
A2OQW0.72
TST4-METHYL-2-{[4-(TOLUENE-4-SULFONYL)-
THIOMORPHOLINE-3-CARBONYL]-AMINO}-
PENTANOIC ACID
A1J4I0.71
INGD-[(AMINO)CARBONYL]PHENYLALANINEA,B1UF80.71
INGD-[(AMINO)CARBONYL]PHENYLALANINEA,B,D,E1HDU0.71
PSA3-HYDROXY-4-AMINO-5-PHENYLPENTANOIC ACIDI1EPL0.72
PSA3-HYDROXY-4-AMINO-5-PHENYLPENTANOIC ACIDA,B,C,D2IFW0.72
PSA3-HYDROXY-4-AMINO-5-PHENYLPENTANOIC ACIDE,I1EPM0.72
IBGGAMMA-GLUTAMYL[S-(2-IODOBENZYL)CYSTEINYL]GLYCINEA1M9B0.75
OAP4-(S)-[(1-OXO-7-PHENYLHEPTYL)AMINO]-
5-[4-(PHENYLMETHYL)PHENYLTHIO]PENTANOIC ACID
A,B,C,D,E,F1KVO0.71
MFD(2S,3S,8S,9S)-3-AMINO-9-METHOXY-
2,6,8-TRIMETHYL-10-PHENYLDECA-4,6-
DIENOIC ACID
A1AY30.72
4BF4-BROMO-L-PHENYLALANINEA2AG60.73
APHP-AMIDINOPHENYL-3-ALANINEE,I1PPC0.7
APHP-AMIDINOPHENYL-3-ALANINEH1ETS0.7
APHP-AMIDINOPHENYL-3-ALANINEH1ETT0.7
APHP-AMIDINOPHENYL-3-ALANINEI1QUR0.7
FBDN-({(1R)-1-carboxy-2-[(4-fluorobenzyl)sulfanyl]ethyl}carbamoyl)-
L-glutamic acid
A3D7D0.76
PBBS-(4-BROMOBENZYL)CYSTEINEA,B,C,D1AQV0.88
SMF4-SULFOMETHYL-L-PHENYLALANINED,H1O0D0.79
SMF4-SULFOMETHYL-L-PHENYLALANINED,H2FES0.79
SMF4-SULFOMETHYL-L-PHENYLALANINEH,P2ANK0.79
SMF4-SULFOMETHYL-L-PHENYLALANINED,H2FEQ0.79
SMF4-SULFOMETHYL-L-PHENYLALANINEH,P2A2X0.79
SMF4-SULFOMETHYL-L-PHENYLALANINED,H1NZQ0.79
TIHBETA(2-THIENYL)ALANINEA1MMK0.72
TIHBETA(2-THIENYL)ALANINEB1EOJ0.72
TIHBETA(2-THIENYL)ALANINEA1KW00.72
TIHBETA(2-THIENYL)ALANINEA1BDK0.72
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
APD3-METHYLPHENYLALANINEA,B,C1GMY0.78
GBIS-(3-IODOBENZYL)GLUTATHIONEA2GSQ0.75
R1F3-{[(2,2,5,5-TETRAMETHYL-1-OXO-
4-PHENYL-2,5-DIHYDRO-1H-PYRROLIUM-
3-YL)METHYL]DISULFANYL}-D-ALANINE
A1ZUR0.75
PF52,3,4,5,6-PENTAFLUORO-L-PHENYLALANINEA2JM00.7
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
GSBS-BENZYL-GLUTATHIONEA,B,C,D1FRO0.77
GSBS-BENZYL-GLUTATHIONEA,B,C,D1GUH0.77
OIRN-(3-PHENYL-2-SULFANYLPROPANOYL)PHENYLALANYLALANINEA1R1J0.71
PDH(2S)-2-AMINO-3-PHENYL-1-PROPANOLA1GQ00.72
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
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY50.71
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY80.71
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY90.71
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XXZ0.71
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY40.71
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY60.71
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
TIO(2-MERCAPTOMETHYL-3-PHENYL-PROPIONYL)-
GLYCINE
E1ZDP0.74
23F(2Z)-2-AMINO-3-PHENYLACRYLIC ACIDA1VRZ0.72
CPMS-(2-CARBOXY-3-PHENYLPROPYL)THIODIIMINE-
S-METHANE
A1CPS0.76
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
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
BCSBENZYLCYSTEINEA,B,G,H10GS0.98
BCSBENZYLCYSTEINEA1EH80.98
SEBO-BENZYLSULFONYL-SERINEA,B,C,D2APJ0.83
SEBO-BENZYLSULFONYL-SERINEA1IAV0.83
SEBO-BENZYLSULFONYL-SERINEA,B1IEC0.83
SEBO-BENZYLSULFONYL-SERINEA1ZIY0.83
SEBO-BENZYLSULFONYL-SERINEA1C9N0.83
SEBO-BENZYLSULFONYL-SERINEA1ZJ40.83
SEBO-BENZYLSULFONYL-SERINEA1GGV0.83
SEBO-BENZYLSULFONYL-SERINEA1Q5P0.83
SEBO-BENZYLSULFONYL-SERINEA1PQA0.83
SEBO-BENZYLSULFONYL-SERINEA1ZJ50.83
SEBO-BENZYLSULFONYL-SERINEA1C9M0.83
HPQHOMOPHENYLALANINYLMETHANEB1EWP0.71
MEAN-METHYLPHENYLALANINEA2PIL0.75
MEAN-METHYLPHENYLALANINEA,B,C,D1H0I0.75
MEAN-METHYLPHENYLALANINEA,B,I1DOJ0.75
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
FOG(4S,5S)-5-amino-4-hydroxy-6-phenylhexanoic acidI1EED0.71
IGLALPHA-AMINO-2-INDANACETIC ACIDA1BDK0.75
HPEHOMOPHENYLALANINEA,B1B1H0.81
BDLN-(biphenyl-4-ylsulfonyl)-D-leucineA3EHX0.73
CXAPHENYLALANINE-N-SULFONAMIDEA1IY70.79
2BL(3R)-3-ethyl-N-[(4-methylphenyl)sulfonyl]-
L-aspartic acid
A1BTU0.75
HMF2-AMINO-4-PHENYL-BUTYRIC ACIDI,J1AY60.81
1PAPHENYLMETHYLACETIC ACID ALANINEI1BHF0.76
PM32-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)-
PROPIONIC ACID
A,L,M3FEA0.73
PM32-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)-
PROPIONIC ACID
P1CWD0.73
PM32-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)-
PROPIONIC ACID
L3FE70.73
PM32-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)-
PROPIONIC ACID
B2GV20.73
PM32-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)-
PROPIONIC ACID
B,D1CWE0.73
NALBETA-(2-NAPHTHYL)-ALANINEA,B2ITK0.72
NALBETA-(2-NAPHTHYL)-ALANINEH,I4THN0.72
NALBETA-(2-NAPHTHYL)-ALANINEA,B2Q5A0.72
NALBETA-(2-NAPHTHYL)-ALANINEA1ZWU0.72
NALBETA-(2-NAPHTHYL)-ALANINEA1SKL0.72
NALBETA-(2-NAPHTHYL)-ALANINEH,I5GDS0.72
NALBETA-(2-NAPHTHYL)-ALANINEA1ZH00.72
NALBETA-(2-NAPHTHYL)-ALANINEA,B2JT90.72