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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01536224

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
IOYP-IODO-D-PHENYLALANINEA1XBU0.77
AHC4-AMINOHYDROCINNAMIC ACIDA,B2AY10.72
CXAPHENYLALANINE-N-SULFONAMIDEA1IY70.75
PG9D-PHENYLGLYCINEA,B,G,H10GS0.78
PG9D-PHENYLGLYCINEA,B,C,D2B4K0.78
C2A1-(3-CHLOROPHENYL)METHANAMINEB,I2C8Z0.71
4PH4-methyl-L-phenylalanineB,C3BV90.78
FCL3-CHLORO-L-PHENYLALANINEE,F1OKW0.86
ZAEN-methyl-D-phenylalanineH,I,R1TBZ0.75
FE34-(2-aminoethyl)-3-chlorobenzoic acidA,B2K1Q0.76
1PAPHENYLMETHYLACETIC ACID ALANINEI1BHF0.75
2004-CHLORO-L-PHENYLALANINEA,B2AKW0.86
HPEHOMOPHENYLALANINEA,B1B1H0.77
4AF4-ACETYL-L-PHENYLALANINEA1ZH60.73
HMF2-AMINO-4-PHENYL-BUTYRIC ACIDI,J1AY60.77
NALBETA-(2-NAPHTHYL)-ALANINEA,B2ITK0.71
NALBETA-(2-NAPHTHYL)-ALANINEH,I4THN0.71
NALBETA-(2-NAPHTHYL)-ALANINEA,B2Q5A0.71
NALBETA-(2-NAPHTHYL)-ALANINEA1ZWU0.71
NALBETA-(2-NAPHTHYL)-ALANINEA1SKL0.71
NALBETA-(2-NAPHTHYL)-ALANINEH,I5GDS0.71
NALBETA-(2-NAPHTHYL)-ALANINEA1ZH00.71
NALBETA-(2-NAPHTHYL)-ALANINEA,B2JT90.71
PHK(2R,3S)-3-AMINO-1-CHLORO-4-PHENYL-
BUTAN-2-OL
A1MU00.7
PHK(2R,3S)-3-AMINO-1-CHLORO-4-PHENYL-
BUTAN-2-OL
A1XRL0.7
B3Y(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACIDA3HF00.7
B3Y(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACIDA2OXK0.7
B3Y(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACIDA,B,C2OXJ0.7
MPQN-METHYL-ALPHA-PHENYL-GLYCINED1D6E0.75
CHP3-CHLORO-4-HYDROXYPHENYLGLYCINEA1DSR0.73
FOG(4S,5S)-5-amino-4-hydroxy-6-phenylhexanoic acidI1EED0.72
C2B1-(4-CHLOROPHENYL)METHANAMINED,H2Q7Q0.71
CNTN-METHYL-META-CHLORO-TYROSINEC,D1OKX0.7
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY50.75
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY80.75
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY90.75
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XXZ0.75
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY40.75
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY60.75
PCSPHENYLALANYLMETHYLCHLORIDEB,D1DLK0.74
PCSPHENYLALANYLMETHYLCHLORIDEA1XQX0.74
APMM-AMIDINOPHENYL-3-ALANINEE1PPH0.73
1ZN(2S,3S,4E,6E,8S,9S)-3-amino-9-methoxy-
2,6,8-trimethyl-10-phenyldeca-4,6-
dienoic acid
C,F,M,N2IAE0.74
CLDD-PARA-CHLOROPHENYL-1-ACTEAMIDOBORONIC ACID ALANINEA1AVT0.7
BIF(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACIDG,M,P,S1YYL0.75
BIF(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACIDG,M,P,S2I5Y0.75
CLBD-PARA-CHLOROPHENYL-1-ACETAMIDOBORONIC ACID ALANINEA1VSB0.7
ZYZ(4-{(2S)-2-[(tert-butoxycarbonyl)amino]-
3-methoxy-3-oxopropyl}phenyl)methaneseleninic acid
A3D9C0.7
FTYDEOXY-DIFLUOROMETHELENE-PHOSPHOTYROSINEC,D1A080.7
FTYDEOXY-DIFLUOROMETHELENE-PHOSPHOTYROSINEC,D,E,F1QZ00.7
FTYDEOXY-DIFLUOROMETHELENE-PHOSPHOTYROSINEC,D,E,F1XXV0.7
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
APD3-METHYLPHENYLALANINEA,B,C1GMY0.78
IGLALPHA-AMINO-2-INDANACETIC ACIDA1BDK0.72
TFQ4-(2,2,2-TRIFLUOROETHYL)-L-PHENYLALANINEA3D6V0.75
PM32-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)-
PROPIONIC ACID
A,L,M3FEA0.72
PM32-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)-
PROPIONIC ACID
P1CWD0.72
PM32-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)-
PROPIONIC ACID
L3FE70.72
PM32-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)-
PROPIONIC ACID
B2GV20.72
PM32-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)-
PROPIONIC ACID
B,D1CWE0.72
PHMPHENYLALANYLMETHANEA,I1PJP0.73
PHMPHENYLALANYLMETHANEA,B,C2J9J0.73
PHMPHENYLALANYLMETHANEA,B,C2JE40.73
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
PFF4-FLUORO-L-PHENYLALANINEA3F3C0.77
PFF4-FLUORO-L-PHENYLALANINEA,C,E,F2UUE0.77
PFF4-FLUORO-L-PHENYLALANINEA1ZNT0.77
PFF4-FLUORO-L-PHENYLALANINEF,H1OL10.77
PFF4-FLUORO-L-PHENYLALANINEA,C,F,H2C5V0.77
PFF4-FLUORO-L-PHENYLALANINEE,F1OL20.77
0A9methyl L-phenylalaninateA1AY20.83
0A9methyl L-phenylalaninateI5ER10.83
0A9methyl L-phenylalaninateI,P1HDT0.83
CRP((1RS,3SR)-2,2-DICHLORO-N-[(R)-
1-(4-CHLOROPHENYL)ETHYL]-1-ETHYL-
3-METHYLCYCLOPROPANECARBOXAMIDE
A2STD0.71
CRP((1RS,3SR)-2,2-DICHLORO-N-[(R)-
1-(4-CHLOROPHENYL)ETHYL]-1-ETHYL-
3-METHYLCYCLOPROPANECARBOXAMIDE
A,B,C7STD0.71
2CL(2,6-DICHLOROPHENYL)ACETIC ACIDA2IPW0.72
2CL(2,6-DICHLOROPHENYL)ACETIC ACIDA2IS70.72
PSA3-HYDROXY-4-AMINO-5-PHENYLPENTANOIC ACIDI1EPL0.74
PSA3-HYDROXY-4-AMINO-5-PHENYLPENTANOIC ACIDA,B,C,D2IFW0.74
PSA3-HYDROXY-4-AMINO-5-PHENYLPENTANOIC ACIDE,I1EPM0.74
MFD(2S,3S,8S,9S)-3-AMINO-9-METHOXY-
2,6,8-TRIMETHYL-10-PHENYLDECA-4,6-
DIENOIC ACID
A1AY30.74
ALNNAPHTHALEN-2-YL-3-ALANINEA,B,I,J2FIV0.71
ALNNAPHTHALEN-2-YL-3-ALANINEA,B1B0H0.71
ALNNAPHTHALEN-2-YL-3-ALANINEB1FIV0.71
ALNNAPHTHALEN-2-YL-3-ALANINEA,B,I,J3FIV0.71
HPQHOMOPHENYLALANINYLMETHANEB1EWP0.71
MEAN-METHYLPHENYLALANINEA2PIL0.75
MEAN-METHYLPHENYLALANINEA,B,C,D1H0I0.75
MEAN-METHYLPHENYLALANINEA,B,I1DOJ0.75
APHP-AMIDINOPHENYL-3-ALANINEE,I1PPC0.73
APHP-AMIDINOPHENYL-3-ALANINEH1ETS0.73
APHP-AMIDINOPHENYL-3-ALANINEH1ETT0.73
APHP-AMIDINOPHENYL-3-ALANINEI1QUR0.73
PHAPHENYLALANINALA,B1OB20.72
PHAPHENYLALANINALV,Y,Z2WDG0.72
PHAPHENYLALANINALV,Y,Z2WDK0.72
PHAPHENYLALANINAL1,2,4,5,A,B,
C,D,E,J,K,L,
M,N,O,P,R,S,
T,U,V,Z
1M900.72
PHAPHENYLALANINALP3SGA0.72
PHAPHENYLALANINALA,B,C,D,E,F1OB50.72
PHAPHENYLALANINALV,Y,Z2WDM0.72
PHAPHENYLALANINAL0,2,4,9,A,B,
C,H,I,J,K,L,
M,N,P,Q,R,S,
T,X,Y,Z
1KQS0.72
PHAPHENYLALANINALA,B1KDV0.72
PHAPHENYLALANINAL1,2,4,5,6,A,
B,C,D,E,J,K,
L,M,N,O,P,R,
S,T,U,V,Z
1Q860.72
PHAPHENYLALANINALA,B1KDY0.72
PHAPHENYLALANINALV,Y,Z3FIC0.72
PHAPHENYLALANINALV,Y,Z2WDH0.72
PHAPHENYLALANINALA,B1KE20.72
4BF4-BROMO-L-PHENYLALANINEA2AG60.72
PHIIODO-PHENYLALANINEA1TF90.77
PHIIODO-PHENYLALANINEA,B,C,D1ORW0.77
PHIIODO-PHENYLALANINEA1T6H0.77
PHIIODO-PHENYLALANINEA,B,C1NLU0.77
PHIIODO-PHENYLALANINEA,I1GA10.77
PHIIODO-PHENYLALANINEA,I1GA40.77
PHIIODO-PHENYLALANINEP1CZI0.77
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A,B,M,N1FJM0.77
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A1EVA0.77
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A1LCM0.77
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A,B,C,D,E,F,
G,H
2NYM0.77
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
C,I2IE30.77
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
C,F,X,Y2NPP0.77
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A1EVC0.77
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
C,F,G,H3DW80.77
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A,B,C,D,E,F,
G,H
2NYL0.77
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A1EVD0.77
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A1EVB0.77
T114-[3-(TRIFLUOROMETHYL)DIAZIRIDIN-
3-YL]-L-PHENYLALANINE
A3D6U0.7