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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00002544

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
AHC4-AMINOHYDROCINNAMIC ACIDA,B2AY10.72
IGLALPHA-AMINO-2-INDANACETIC ACIDA1BDK0.79
APD3-METHYLPHENYLALANINEA,B,C1GMY0.81
GROR-2-PHENYL-PROPRIONIC ACIDB1K5S0.73
GROR-2-PHENYL-PROPRIONIC ACIDB1KEC0.73
GROR-2-PHENYL-PROPRIONIC ACIDB1K7D0.73
V35D-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACIDB,C2VGC0.72
M5P(S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACIDA,B2YZ30.7
2004-CHLORO-L-PHENYLALANINEA,B2AKW0.91
BFLA,B1Q4G0.71
FRFPHE-REDUCED-PHEA,I1GVX0.72
PSA3-HYDROXY-4-AMINO-5-PHENYLPENTANOIC ACIDI1EPL0.79
PSA3-HYDROXY-4-AMINO-5-PHENYLPENTANOIC ACIDA,B,C,D2IFW0.79
PSA3-HYDROXY-4-AMINO-5-PHENYLPENTANOIC ACIDE,I1EPM0.79
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
HCIHYDROCINNAMIC ACIDA,B1BXG0.73
HCIHYDROCINNAMIC ACIDA,B1TOG0.73
HCIHYDROCINNAMIC ACIDA,B1V2F0.73
HCIHYDROCINNAMIC ACIDA,B1AHX0.73
HCIHYDROCINNAMIC ACIDA1TOI0.73
HCIHYDROCINNAMIC ACIDA,B1AY80.73
HCIHYDROCINNAMIC ACIDA1TOJ0.73
FE34-(2-aminoethyl)-3-chlorobenzoic acidA,B2K1Q0.81
PM32-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)-
PROPIONIC ACID
A,L,M3FEA0.76
PM32-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)-
PROPIONIC ACID
P1CWD0.76
PM32-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)-
PROPIONIC ACID
L3FE70.76
PM32-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)-
PROPIONIC ACID
B2GV20.76
PM32-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)-
PROPIONIC ACID
B,D1CWE0.76
FOG(4S,5S)-5-amino-4-hydroxy-6-phenylhexanoic acidI1EED0.75
PCSPHENYLALANYLMETHYLCHLORIDEB,D1DLK0.72
PCSPHENYLALANYLMETHYLCHLORIDEA1XQX0.72
MFD(2S,3S,8S,9S)-3-AMINO-9-METHOXY-
2,6,8-TRIMETHYL-10-PHENYLDECA-4,6-
DIENOIC ACID
A1AY30.71
BIP2-BENZYL-3-IODOPROPANOIC ACIDA,B,C,D1BAV0.73
GVQ(2R)-2-(4-CHLOROPHENYL)-2-PHENYLETHANAMINEA2UW80.75
CLT4-PHENYL-BUTANOIC ACIDA1THL0.73
CLT4-PHENYL-BUTANOIC ACIDA,B2AY70.73
CLT4-PHENYL-BUTANOIC ACIDE,I1TMN0.73
PG9D-PHENYLGLYCINEA,B,G,H10GS0.77
PG9D-PHENYLGLYCINEA,B,C,D2B4K0.77
BEY(2S)-3-[(R)-[(1S)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]-
2-benzylpropanoic acid
A3EBI0.76
LHYL-[(N-HYDROXYAMINO)CARBONYL]PHENYLALANINEA,B,D,E1HEE0.71
ZAEN-methyl-D-phenylalanineH,I,R1TBZ0.77
PFF4-FLUORO-L-PHENYLALANINEA3F3C0.8
PFF4-FLUORO-L-PHENYLALANINEA,C,E,F2UUE0.8
PFF4-FLUORO-L-PHENYLALANINEA1ZNT0.8
PFF4-FLUORO-L-PHENYLALANINEF,H1OL10.8
PFF4-FLUORO-L-PHENYLALANINEA,C,F,H2C5V0.8
PFF4-FLUORO-L-PHENYLALANINEE,F1OL20.8
PAC2-PHENYLACETIC ACIDB1PNL0.71
PAC2-PHENYLACETIC ACIDB1K5Q0.71
PAC2-PHENYLACETIC ACIDB1FXH0.71
PAC2-PHENYLACETIC ACIDA2ISF0.71
PAC2-PHENYLACETIC ACIDA2INE0.71
CLDD-PARA-CHLOROPHENYL-1-ACTEAMIDOBORONIC ACID ALANINEA1AVT0.72
CXAPHENYLALANINE-N-SULFONAMIDEA1IY70.78
INGD-[(AMINO)CARBONYL]PHENYLALANINEA,B1UF80.73
INGD-[(AMINO)CARBONYL]PHENYLALANINEA,B,D,E1HDU0.73
SMF4-SULFOMETHYL-L-PHENYLALANINED,H1O0D0.74
SMF4-SULFOMETHYL-L-PHENYLALANINED,H2FES0.74
SMF4-SULFOMETHYL-L-PHENYLALANINEH,P2ANK0.74
SMF4-SULFOMETHYL-L-PHENYLALANINED,H2FEQ0.74
SMF4-SULFOMETHYL-L-PHENYLALANINEH,P2A2X0.74
SMF4-SULFOMETHYL-L-PHENYLALANINED,H1NZQ0.74
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY50.74
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY80.74
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY90.74
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XXZ0.74
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY40.74
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY60.74
DPHDEAMINO-METHYL-PHENYLALANINEA1OS00.75
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJI0.75
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJJ0.75
DPHDEAMINO-METHYL-PHENYLALANINEA,B2VS20.75
DPHDEAMINO-METHYL-PHENYLALANINEA,B1OD10.75
DPHDEAMINO-METHYL-PHENYLALANINEE1EPR0.75
PPT3-(P-TOLYL)PROPIONIC ACIDA,B2AY40.73
5PV5-PHENYLVALERIC ACIDA,B2AY90.74
ALNNAPHTHALEN-2-YL-3-ALANINEA,B,I,J2FIV0.77
ALNNAPHTHALEN-2-YL-3-ALANINEA,B1B0H0.77
ALNNAPHTHALEN-2-YL-3-ALANINEB1FIV0.77
ALNNAPHTHALEN-2-YL-3-ALANINEA,B,I,J3FIV0.77
IBPIBUPROFENA3FKX0.72
IBPIBUPROFENA,B2BXG0.72
IBPIBUPROFENA,B1EQG0.72
IBPIBUPROFENA,B,C2WD90.72
IBPIBUPROFENA2PWS0.72
23N(2R)-2-benzyl-3-nitropropanoic acidA2RFH0.75
TFQ4-(2,2,2-TRIFLUOROETHYL)-L-PHENYLALANINEA3D6V0.79
APMM-AMIDINOPHENYL-3-ALANINEE1PPH0.73
BR46-PHENYL-4(R)-(7-PHENYL-HEPTANOYLAMINO)-
HEXANOIC ACID
A1KQU0.75
1ZN(2S,3S,4E,6E,8S,9S)-3-amino-9-methoxy-
2,6,8-trimethyl-10-phenyldeca-4,6-
dienoic acid
C,F,M,N2IAE0.71
CHP3-CHLORO-4-HYDROXYPHENYLGLYCINEA1DSR0.71
NHL(4S)-4-(2-NAPHTHYLMETHYL)-D-GLUTAMIC ACIDA2OHV0.74
NDFN-(CARBOXYCARBONYL)-D-PHENYLALANINEA1YCI0.72
PHLL-PHENYLALANINOLA,B1JOH0.7
PHLL-PHENYLALANINOLI3APR0.7
PHLL-PHENYLALANINOLA1DLZ0.7
PHLL-PHENYLALANINOLA1IH90.7
PHLL-PHENYLALANINOLA1OB40.7
PHLL-PHENYLALANINOLI2ER60.7
PHLL-PHENYLALANINOLA1R9U0.7
PHLL-PHENYLALANINOLA1OB70.7
PHLL-PHENYLALANINOLA,B1OB60.7
PHLL-PHENYLALANINOLA,B,C1AMT0.7
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A,B,M,N1FJM0.75
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A1EVA0.75
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A1LCM0.75
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A,B,C,D,E,F,
G,H
2NYM0.75
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
C,I2IE30.75
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
C,F,X,Y2NPP0.75
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A1EVC0.75
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
C,F,G,H3DW80.75
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A,B,C,D,E,F,
G,H
2NYL0.75
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A1EVD0.75
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A1EVB0.75
4BF4-BROMO-L-PHENYLALANINEA2AG60.75
4PH4-methyl-L-phenylalanineB,C3BV90.81
4AF4-ACETYL-L-PHENYLALANINEA1ZH60.76
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDA,B3CFQ0.7
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDA1SV90.7
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDA1NR60.7
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDA3HWV0.7
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDB1DVX0.7
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDA2B6D0.7
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDA,B,C,D1PXX0.7
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDA2B170.7
MPQN-METHYL-ALPHA-PHENYL-GLYCINED1D6E0.71
PF52,3,4,5,6-PENTAFLUORO-L-PHENYLALANINEA2JM00.72
PDH(2S)-2-AMINO-3-PHENYL-1-PROPANOLA1GQ00.7
INFD-[(N-HYDROXYAMINO)CARBONYL]PHENYLALANINEA1HDQ0.71
HMF2-AMINO-4-PHENYL-BUTYRIC ACIDI,J1AY60.8
7912-PHENYLMALONIC ACIDA1O4P0.71
HPEHOMOPHENYLALANINEA,B1B1H0.8
MEAN-METHYLPHENYLALANINEA2PIL0.77
MEAN-METHYLPHENYLALANINEA,B,C,D1H0I0.77
MEAN-METHYLPHENYLALANINEA,B,I1DOJ0.77
BIF(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACIDG,M,P,S1YYL0.81
BIF(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACIDG,M,P,S2I5Y0.81
DTYD-TYROSINEA1C4B0.7
DTYD-TYROSINEA,L1ZEA0.7
DTYD-TYROSINEA,B,C,D,E,F,
G,H
1OF60.7
DTYD-TYROSINEA,B1UNO0.7
DTYD-TYROSINEA2IGZ0.7
DTYD-TYROSINEA,B,C,H,K,L2R5D0.7
DTYD-TYROSINEA,B2Q330.7
DTYD-TYROSINEH,S2H9E0.7
DTYD-TYROSINEA,B,C,H,K,L2R5B0.7
DTYD-TYROSINEA2IH00.7
DTYD-TYROSINEA1D7T0.7
DTYD-TYROSINEA,B1XA00.7
HSI(3R)-3-{4-[(4-CHLOROPHENYL)ETHYNYL]BENZOYL}NONANOIC ACIDA2Z2D0.7
PBFPARA-(BENZOYL)-PHENYLALANINEA2FR90.74
PBFPARA-(BENZOYL)-PHENYLALANINEA,B1EEN0.74
PBFPARA-(BENZOYL)-PHENYLALANINEA2HGZ0.74
PBFPARA-(BENZOYL)-PHENYLALANINEA2FRB0.74
1744-CHLORO-BENZOIC ACIDX3DLP0.71
1744-CHLORO-BENZOIC ACIDX1T5D0.71
CLBD-PARA-CHLOROPHENYL-1-ACETAMIDOBORONIC ACID ALANINEA1VSB0.72
HPHPHENYLALANINDIOLI1E5O0.71
HPHPHENYLALANINDIOLA,B1ODX0.71
HPHPHENYLALANINDIOLA,B1MTB0.71
HPHPHENYLALANINDIOLA,B2FGV0.71
HPHPHENYLALANINDIOLA1ODW0.71
HPHPHENYLALANINDIOLA,B2FGU0.71
HPHPHENYLALANINDIOLA,B1HXB0.71
V36L-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACIDB,C1VGC0.72
CS4S-[3-(3,4-DICHLOROPHENYL)-3-OXOPROPYL]-
L-CYSTEINE
A2OQZ0.7
2CL(2,6-DICHLOROPHENYL)ACETIC ACIDA2IPW0.77
2CL(2,6-DICHLOROPHENYL)ACETIC ACIDA2IS70.77
0A9methyl L-phenylalaninateA1AY20.76
0A9methyl L-phenylalaninateI5ER10.76
0A9methyl L-phenylalaninateI,P1HDT0.76
FCL3-CHLORO-L-PHENYLALANINEE,F1OKW0.9
DFADIPHENYLACETIC ACIDA,B,C1GMY0.72
DPND-PHENYLALANINEP1MCS0.82
DPND-PHENYLALANINEA1GOE0.82
DPND-PHENYLALANINEA2RM90.82
DPND-PHENYLALANINEA1SOC0.82
DPND-PHENYLALANINEB,C,E,F1SFQ0.82
DPND-PHENYLALANINEI1ABJ0.82
DPND-PHENYLALANINEP1DWE0.82
DPND-PHENYLALANINEI,M1HLT0.82
DPND-PHENYLALANINEA,H,L1J9C0.82
DPND-PHENYLALANINEI,T1TMB0.82
DPND-PHENYLALANINEA2JRY0.82
DPND-PHENYLALANINEA2SOC0.82
DPND-PHENYLALANINEA2YYF0.82
DPND-PHENYLALANINEI2HGT0.82
DPND-PHENYLALANINEA,D2Q3I0.82
DPND-PHENYLALANINEA,P1MCD0.82
DPND-PHENYLALANINEP1HAO0.82
DPND-PHENYLALANINEA,B,I1Z8J0.82
DPND-PHENYLALANINEA,B,C2PGQ0.82
DPND-PHENYLALANINEC,D,H,I,L,M,
X,Y
1DVA0.82
DPND-PHENYLALANINEP1NRR0.82
DPND-PHENYLALANINEI1PPB0.82
DPND-PHENYLALANINEC,D,G,H1NU70.82
DPND-PHENYLALANINEI2HPP0.82
DPND-PHENYLALANINEB,C2OD30.82
DPND-PHENYLALANINEA1B0Q0.82
DPND-PHENYLALANINEB,C,E,F1NU90.82
DPND-PHENYLALANINEA,B,I1Z8I0.82
DPND-PHENYLALANINEH,I,J1TMU0.82
DPND-PHENYLALANINEA,B,C,D,E,F2DNS0.82
DPND-PHENYLALANINEA1GO90.82
DPND-PHENYLALANINEB,C,E,F1A0H0.82
DPND-PHENYLALANINEP1MCF0.82
DPND-PHENYLALANINEA2RME0.82
DPND-PHENYLALANINEH,I1TMT0.82
DPND-PHENYLALANINEI1ABI0.82
DPND-PHENYLALANINER1NRQ0.82
DPND-PHENYLALANINEB,C,F,G2A1D0.82
DPND-PHENYLALANINEA,B2Q330.82
DPND-PHENYLALANINEC,H,L1DAN0.82
DPND-PHENYLALANINEP1MCE0.82
DPND-PHENYLALANINEB,C,E,F2A450.82
DPND-PHENYLALANINEA2RMI0.82
DPND-PHENYLALANINEA,B,I1TQ70.82
DPND-PHENYLALANINEA1W7M0.82
DPND-PHENYLALANINEP1HAP0.82
DPND-PHENYLALANINEA,B1ORF0.82
DPND-PHENYLALANINEI1IHS0.82
DPND-PHENYLALANINEP1MCC0.82
DPND-PHENYLALANINEA2RMD0.82
DPND-PHENYLALANINEA2JQB0.82
DPND-PHENYLALANINEI2HPQ0.82
DPND-PHENYLALANINEC,E,F1SHH0.82
DPND-PHENYLALANINEA,I1CVR0.82
DPND-PHENYLALANINEL,P1AUT0.82
DPND-PHENYLALANINEP1MCI0.82
DPND-PHENYLALANINEH,I3F6U0.82
DPND-PHENYLALANINEA1BFW0.82
DPND-PHENYLALANINEH,I1HAI0.82
DPND-PHENYLALANINEB,C2THF0.82
DPND-PHENYLALANINEI1IHT0.82
DPND-PHENYLALANINEA,P1MCJ0.82
DPND-PHENYLALANINEA1TKH0.82
DPND-PHENYLALANINEC,H,L,T2FIR0.82
DPND-PHENYLALANINEA2FMZ0.82
DPND-PHENYLALANINEA1YL90.82
DPND-PHENYLALANINEI1HUT0.82
DPND-PHENYLALANINEI1FXY0.82
DPND-PHENYLALANINEA1YL80.82
DPND-PHENYLALANINEC,H,L1QFK0.82
DPND-PHENYLALANINEP1MCB0.82
PHK(2R,3S)-3-AMINO-1-CHLORO-4-PHENYL-
BUTAN-2-OL
A1MU00.71
PHK(2R,3S)-3-AMINO-1-CHLORO-4-PHENYL-
BUTAN-2-OL
A1XRL0.71
1PAPHENYLMETHYLACETIC ACID ALANINEI1BHF0.79
BTP2-THIOMETHYL-3-PHENYLPROPANOIC ACIDA,B1JAO0.71
APHP-AMIDINOPHENYL-3-ALANINEE,I1PPC0.73
APHP-AMIDINOPHENYL-3-ALANINEH1ETS0.73
APHP-AMIDINOPHENYL-3-ALANINEH1ETT0.73
APHP-AMIDINOPHENYL-3-ALANINEI1QUR0.73
CNTN-METHYL-META-CHLORO-TYROSINEC,D1OKX0.71
FTYDEOXY-DIFLUOROMETHELENE-PHOSPHOTYROSINEC,D1A080.74
FTYDEOXY-DIFLUOROMETHELENE-PHOSPHOTYROSINEC,D,E,F1QZ00.74
FTYDEOXY-DIFLUOROMETHELENE-PHOSPHOTYROSINEC,D,E,F1XXV0.74
IOYP-IODO-D-PHENYLALANINEA1XBU0.8
KPV5-PHENYL-2-KETO-VALERIC ACIDA,B2Q5Q0.71
BZSL-BENZYLSUCCINIC ACIDA1CBX0.72
BZSL-BENZYLSUCCINIC ACIDA1HYT0.72
BZSL-BENZYLSUCCINIC ACIDA,B1WHT0.72
NALBETA-(2-NAPHTHYL)-ALANINEA,B2ITK0.77
NALBETA-(2-NAPHTHYL)-ALANINEH,I4THN0.77
NALBETA-(2-NAPHTHYL)-ALANINEA,B2Q5A0.77
NALBETA-(2-NAPHTHYL)-ALANINEA1ZWU0.77
NALBETA-(2-NAPHTHYL)-ALANINEA1SKL0.77
NALBETA-(2-NAPHTHYL)-ALANINEH,I5GDS0.77
NALBETA-(2-NAPHTHYL)-ALANINEA1ZH00.77
NALBETA-(2-NAPHTHYL)-ALANINEA,B2JT90.77
T114-[3-(TRIFLUOROMETHYL)DIAZIRIDIN-
3-YL]-L-PHENYLALANINE
A3D6U0.7