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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02402029

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
BIF(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACIDG,M,P,S1YYL0.77
BIF(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACIDG,M,P,S2I5Y0.77
SMF4-SULFOMETHYL-L-PHENYLALANINED,H1O0D0.72
SMF4-SULFOMETHYL-L-PHENYLALANINED,H2FES0.72
SMF4-SULFOMETHYL-L-PHENYLALANINEH,P2ANK0.72
SMF4-SULFOMETHYL-L-PHENYLALANINED,H2FEQ0.72
SMF4-SULFOMETHYL-L-PHENYLALANINEH,P2A2X0.72
SMF4-SULFOMETHYL-L-PHENYLALANINED,H1NZQ0.72
FRFPHE-REDUCED-PHEA,I1GVX0.72
FTYDEOXY-DIFLUOROMETHELENE-PHOSPHOTYROSINEC,D1A080.76
FTYDEOXY-DIFLUOROMETHELENE-PHOSPHOTYROSINEC,D,E,F1QZ00.76
FTYDEOXY-DIFLUOROMETHELENE-PHOSPHOTYROSINEC,D,E,F1XXV0.76
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
FLPFLURBIPROFENA,B,C,D3PGH0.7
FLPFLURBIPROFENA,B1CQE0.7
FLPFLURBIPROFENA,B1EQH0.7
FLPFLURBIPROFENA,B2AYL0.7
FLPFLURBIPROFENA1DVT0.7
FLPFLURBIPROFENA1R9O0.7
TCQ3-((3E)-4-(HYDROXYMETHYL)-6-OXO-
3-{[(1S,2R)-2-PHENYLCYCLOPROPYL]IMINO}CYCLOHEXA-
1,4-DIEN-1-YL)ALANINE
A,B1W4N0.71
ALNNAPHTHALEN-2-YL-3-ALANINEA,B,I,J2FIV0.74
ALNNAPHTHALEN-2-YL-3-ALANINEA,B1B0H0.74
ALNNAPHTHALEN-2-YL-3-ALANINEB1FIV0.74
ALNNAPHTHALEN-2-YL-3-ALANINEA,B,I,J3FIV0.74
APHP-AMIDINOPHENYL-3-ALANINEE,I1PPC0.79
APHP-AMIDINOPHENYL-3-ALANINEH1ETS0.79
APHP-AMIDINOPHENYL-3-ALANINEH1ETT0.79
APHP-AMIDINOPHENYL-3-ALANINEI1QUR0.79
APAAMIDO PHENYL PYRUVIC ACIDH,I1AHT0.72
APAAMIDO PHENYL PYRUVIC ACIDA,B,C,D1A0L0.72
APAAMIDO PHENYL PYRUVIC ACIDA1TPP0.72
CLT4-PHENYL-BUTANOIC ACIDA1THL0.73
CLT4-PHENYL-BUTANOIC ACIDA,B2AY70.73
CLT4-PHENYL-BUTANOIC ACIDE,I1TMN0.73
IOYP-IODO-D-PHENYLALANINEA1XBU0.78
PG9D-PHENYLGLYCINEA,B,G,H10GS0.77
PG9D-PHENYLGLYCINEA,B,C,D2B4K0.77
DPHDEAMINO-METHYL-PHENYLALANINEA1OS00.73
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJI0.73
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJJ0.73
DPHDEAMINO-METHYL-PHENYLALANINEA,B2VS20.73
DPHDEAMINO-METHYL-PHENYLALANINEA,B1OD10.73
DPHDEAMINO-METHYL-PHENYLALANINEE1EPR0.73
LHYL-[(N-HYDROXYAMINO)CARBONYL]PHENYLALANINEA,B,D,E1HEE0.71
ZAEN-methyl-D-phenylalanineH,I,R1TBZ0.77
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A,B,M,N1FJM0.71
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A1EVA0.71
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A1LCM0.71
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A,B,C,D,E,F,
G,H
2NYM0.71
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
C,I2IE30.71
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
C,F,X,Y2NPP0.71
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A1EVC0.71
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
C,F,G,H3DW80.71
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A,B,C,D,E,F,
G,H
2NYL0.71
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A1EVD0.71
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A1EVB0.71
APD3-METHYLPHENYLALANINEA,B,C1GMY0.8
PAC2-PHENYLACETIC ACIDB1PNL0.71
PAC2-PHENYLACETIC ACIDB1K5Q0.71
PAC2-PHENYLACETIC ACIDB1FXH0.71
PAC2-PHENYLACETIC ACIDA2ISF0.71
PAC2-PHENYLACETIC ACIDA2INE0.71
MPQN-METHYL-ALPHA-PHENYL-GLYCINED1D6E0.73
FCL3-CHLORO-L-PHENYLALANINEE,F1OKW0.73
TFQ4-(2,2,2-TRIFLUOROETHYL)-L-PHENYLALANINEA3D6V0.81
1PAPHENYLMETHYLACETIC ACID ALANINEI1BHF0.77
INGD-[(AMINO)CARBONYL]PHENYLALANINEA,B1UF80.73
INGD-[(AMINO)CARBONYL]PHENYLALANINEA,B,D,E1HDU0.73
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
FOG(4S,5S)-5-amino-4-hydroxy-6-phenylhexanoic acidI1EED0.72
PPT3-(P-TOLYL)PROPIONIC ACIDA,B2AY40.73
GROR-2-PHENYL-PROPRIONIC ACIDB1K5S0.7
GROR-2-PHENYL-PROPRIONIC ACIDB1KEC0.7
GROR-2-PHENYL-PROPRIONIC ACIDB1K7D0.7
YOF3-FLUOROTYROSINEA,B1XIL0.72
YOF3-FLUOROTYROSINEA,B1XDC0.72
YOF3-FLUOROTYROSINEA1RRX0.72
YOF3-FLUOROTYROSINEA,B3FYG0.72
2004-CHLORO-L-PHENYLALANINEA,B2AKW0.73
5PV5-PHENYLVALERIC ACIDA,B2AY90.74
X9Q{(2S)-2-[(1S)-1-AMINOETHYL]-4-BENZYL-
5-OXO-2,5-DIHYDRO-1H-IMIDAZOL-1-
YL}ACETIC ACID
A2HGD0.73
23N(2R)-2-benzyl-3-nitropropanoic acidA2RFH0.73
4AF4-ACETYL-L-PHENYLALANINEA1ZH60.74
CXAPHENYLALANINE-N-SULFONAMIDEA1IY70.77
BNNACETYL-P-AMIDINOPHENYLALANINE2,3,48KME0.73
BNNACETYL-P-AMIDINOPHENYLALANINEH,I,J7KME0.73
PFF4-FLUORO-L-PHENYLALANINEA3F3C0.83
PFF4-FLUORO-L-PHENYLALANINEA,C,E,F2UUE0.83
PFF4-FLUORO-L-PHENYLALANINEA1ZNT0.83
PFF4-FLUORO-L-PHENYLALANINEF,H1OL10.83
PFF4-FLUORO-L-PHENYLALANINEA,C,F,H2C5V0.83
PFF4-FLUORO-L-PHENYLALANINEE,F1OL20.83
NDFN-(CARBOXYCARBONYL)-D-PHENYLALANINEA1YCI0.72
4BF4-BROMO-L-PHENYLALANINEA2AG60.73
APMM-AMIDINOPHENYL-3-ALANINEE1PPH0.79
INFD-[(N-HYDROXYAMINO)CARBONYL]PHENYLALANINEA1HDQ0.71
HMF2-AMINO-4-PHENYL-BUTYRIC ACIDI,J1AY60.8
HPEHOMOPHENYLALANINEA,B1B1H0.8
MEAN-METHYLPHENYLALANINEA2PIL0.77
MEAN-METHYLPHENYLALANINEA,B,C,D1H0I0.77
MEAN-METHYLPHENYLALANINEA,B,I1DOJ0.77
IGLALPHA-AMINO-2-INDANACETIC ACIDA1BDK0.78
NALBETA-(2-NAPHTHYL)-ALANINEA,B2ITK0.74
NALBETA-(2-NAPHTHYL)-ALANINEH,I4THN0.74
NALBETA-(2-NAPHTHYL)-ALANINEA,B2Q5A0.74
NALBETA-(2-NAPHTHYL)-ALANINEA1ZWU0.74
NALBETA-(2-NAPHTHYL)-ALANINEA1SKL0.74
NALBETA-(2-NAPHTHYL)-ALANINEH,I5GDS0.74
NALBETA-(2-NAPHTHYL)-ALANINEA1ZH00.74
NALBETA-(2-NAPHTHYL)-ALANINEA,B2JT90.74
1TY3-{(3E)-4-HYDROXY-6-OXO-3-[(2-PHENYLETHYL)IMINO]CYCLOHEXA-
1,4-DIEN-1-YL}ALANINE
A,B2CWU0.73
T114-[3-(TRIFLUOROMETHYL)DIAZIRIDIN-
3-YL]-L-PHENYLALANINE
A3D6U0.72
BR46-PHENYL-4(R)-(7-PHENYL-HEPTANOYLAMINO)-
HEXANOIC ACID
A1KQU0.7
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
BZSL-BENZYLSUCCINIC ACIDA1CBX0.7
BZSL-BENZYLSUCCINIC ACIDA1HYT0.7
BZSL-BENZYLSUCCINIC ACIDA,B1WHT0.7
TYTTYROSINE DERIVATIVEA,B1LVN0.75
4PH4-methyl-L-phenylalanineB,C3BV90.8
BIP2-BENZYL-3-IODOPROPANOIC ACIDA,B,C,D1BAV0.71
DPND-PHENYLALANINEP1MCS0.8
DPND-PHENYLALANINEA1GOE0.8
DPND-PHENYLALANINEA2RM90.8
DPND-PHENYLALANINEA1SOC0.8
DPND-PHENYLALANINEB,C,E,F1SFQ0.8
DPND-PHENYLALANINEI1ABJ0.8
DPND-PHENYLALANINEP1DWE0.8
DPND-PHENYLALANINEI,M1HLT0.8
DPND-PHENYLALANINEA,H,L1J9C0.8
DPND-PHENYLALANINEI,T1TMB0.8
DPND-PHENYLALANINEA2JRY0.8
DPND-PHENYLALANINEA2SOC0.8
DPND-PHENYLALANINEA2YYF0.8
DPND-PHENYLALANINEI2HGT0.8
DPND-PHENYLALANINEA,D2Q3I0.8
DPND-PHENYLALANINEA,P1MCD0.8
DPND-PHENYLALANINEP1HAO0.8
DPND-PHENYLALANINEA,B,I1Z8J0.8
DPND-PHENYLALANINEA,B,C2PGQ0.8
DPND-PHENYLALANINEC,D,H,I,L,M,
X,Y
1DVA0.8
DPND-PHENYLALANINEP1NRR0.8
DPND-PHENYLALANINEI1PPB0.8
DPND-PHENYLALANINEC,D,G,H1NU70.8
DPND-PHENYLALANINEI2HPP0.8
DPND-PHENYLALANINEB,C2OD30.8
DPND-PHENYLALANINEA1B0Q0.8
DPND-PHENYLALANINEB,C,E,F1NU90.8
DPND-PHENYLALANINEA,B,I1Z8I0.8
DPND-PHENYLALANINEH,I,J1TMU0.8
DPND-PHENYLALANINEA,B,C,D,E,F2DNS0.8
DPND-PHENYLALANINEA1GO90.8
DPND-PHENYLALANINEB,C,E,F1A0H0.8
DPND-PHENYLALANINEP1MCF0.8
DPND-PHENYLALANINEA2RME0.8
DPND-PHENYLALANINEH,I1TMT0.8
DPND-PHENYLALANINEI1ABI0.8
DPND-PHENYLALANINER1NRQ0.8
DPND-PHENYLALANINEB,C,F,G2A1D0.8
DPND-PHENYLALANINEA,B2Q330.8
DPND-PHENYLALANINEC,H,L1DAN0.8
DPND-PHENYLALANINEP1MCE0.8
DPND-PHENYLALANINEB,C,E,F2A450.8
DPND-PHENYLALANINEA2RMI0.8
DPND-PHENYLALANINEA,B,I1TQ70.8
DPND-PHENYLALANINEA1W7M0.8
DPND-PHENYLALANINEP1HAP0.8
DPND-PHENYLALANINEA,B1ORF0.8
DPND-PHENYLALANINEI1IHS0.8
DPND-PHENYLALANINEP1MCC0.8
DPND-PHENYLALANINEA2RMD0.8
DPND-PHENYLALANINEA2JQB0.8
DPND-PHENYLALANINEI2HPQ0.8
DPND-PHENYLALANINEC,E,F1SHH0.8
DPND-PHENYLALANINEA,I1CVR0.8
DPND-PHENYLALANINEL,P1AUT0.8
DPND-PHENYLALANINEP1MCI0.8
DPND-PHENYLALANINEH,I3F6U0.8
DPND-PHENYLALANINEA1BFW0.8
DPND-PHENYLALANINEH,I1HAI0.8
DPND-PHENYLALANINEB,C2THF0.8
DPND-PHENYLALANINEI1IHT0.8
DPND-PHENYLALANINEA,P1MCJ0.8
DPND-PHENYLALANINEA1TKH0.8
DPND-PHENYLALANINEC,H,L,T2FIR0.8
DPND-PHENYLALANINEA2FMZ0.8
DPND-PHENYLALANINEA1YL90.8
DPND-PHENYLALANINEI1HUT0.8
DPND-PHENYLALANINEI1FXY0.8
DPND-PHENYLALANINEA1YL80.8
DPND-PHENYLALANINEC,H,L1QFK0.8
DPND-PHENYLALANINEP1MCB0.8
PF52,3,4,5,6-PENTAFLUORO-L-PHENYLALANINEA2JM00.75
PM32-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)-
PROPIONIC ACID
A,L,M3FEA0.75
PM32-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)-
PROPIONIC ACID
P1CWD0.75
PM32-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)-
PROPIONIC ACID
L3FE70.75
PM32-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)-
PROPIONIC ACID
B2GV20.75
PM32-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)-
PROPIONIC ACID
B,D1CWE0.75
PSA3-HYDROXY-4-AMINO-5-PHENYLPENTANOIC ACIDI1EPL0.73
PSA3-HYDROXY-4-AMINO-5-PHENYLPENTANOIC ACIDA,B,C,D2IFW0.73
PSA3-HYDROXY-4-AMINO-5-PHENYLPENTANOIC ACIDE,I1EPM0.73
KPV5-PHENYL-2-KETO-VALERIC ACIDA,B2Q5Q0.71
PBFPARA-(BENZOYL)-PHENYLALANINEA2FR90.72
PBFPARA-(BENZOYL)-PHENYLALANINEA,B1EEN0.72
PBFPARA-(BENZOYL)-PHENYLALANINEA2HGZ0.72
PBFPARA-(BENZOYL)-PHENYLALANINEA2FRB0.72