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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00001343

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
B3Y(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACIDA3HF00.73
B3Y(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACIDA2OXK0.73
B3Y(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACIDA,B,C2OXJ0.73
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
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY50.77
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY80.77
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY90.77
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XXZ0.77
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY40.77
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY60.77
PBBS-(4-BROMOBENZYL)CYSTEINEA,B,C,D1AQV0.72
FRFPHE-REDUCED-PHEA,I1GVX0.7
APD3-METHYLPHENYLALANINEA,B,C1GMY0.79
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
INGD-[(AMINO)CARBONYL]PHENYLALANINEA,B1UF80.72
INGD-[(AMINO)CARBONYL]PHENYLALANINEA,B,D,E1HDU0.72
23N(2R)-2-benzyl-3-nitropropanoic acidA2RFH0.7
IOYP-IODO-D-PHENYLALANINEA1XBU0.78
NDFN-(CARBOXYCARBONYL)-D-PHENYLALANINEA1YCI0.71
ZAEN-methyl-D-phenylalanineH,I,R1TBZ0.77
AHC4-AMINOHYDROCINNAMIC ACIDA,B2AY10.74
FCL3-CHLORO-L-PHENYLALANINEE,F1OKW0.73
PBFPARA-(BENZOYL)-PHENYLALANINEA2FR90.71
PBFPARA-(BENZOYL)-PHENYLALANINEA,B1EEN0.71
PBFPARA-(BENZOYL)-PHENYLALANINEA2HGZ0.71
PBFPARA-(BENZOYL)-PHENYLALANINEA2FRB0.71
TFQ4-(2,2,2-TRIFLUOROETHYL)-L-PHENYLALANINEA3D6V0.76
FOG(4S,5S)-5-amino-4-hydroxy-6-phenylhexanoic acidI1EED0.72
APMM-AMIDINOPHENYL-3-ALANINEE1PPH0.75
2004-CHLORO-L-PHENYLALANINEA,B2AKW0.73
4AF4-ACETYL-L-PHENYLALANINEA1ZH60.74
CXAPHENYLALANINE-N-SULFONAMIDEA1IY70.77
PPNPARA-NITROPHENYLALANINEI1YTJ0.7
NALBETA-(2-NAPHTHYL)-ALANINEA,B2ITK0.75
NALBETA-(2-NAPHTHYL)-ALANINEH,I4THN0.75
NALBETA-(2-NAPHTHYL)-ALANINEA,B2Q5A0.75
NALBETA-(2-NAPHTHYL)-ALANINEA1ZWU0.75
NALBETA-(2-NAPHTHYL)-ALANINEA1SKL0.75
NALBETA-(2-NAPHTHYL)-ALANINEH,I5GDS0.75
NALBETA-(2-NAPHTHYL)-ALANINEA1ZH00.75
NALBETA-(2-NAPHTHYL)-ALANINEA,B2JT90.75
DBY3,5 DIBROMOTYROSINEC,D1EBA0.75
MFD(2S,3S,8S,9S)-3-AMINO-9-METHOXY-
2,6,8-TRIMETHYL-10-PHENYLDECA-4,6-
DIENOIC ACID
A1AY30.72
4BF4-BROMO-L-PHENYLALANINEA2AG60.89
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
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
MCG(S)-(ALPHA)-METHYL-4-CARBOXYPHENYLGLYCINEA,B1ISS0.71
247(3R)-3-amino-2,2-difluoro-3-(4-
hydroxyphenyl)propanoic acid
A,B2QVE0.7
NPGN-SUCCINYL PHENYLGLYCINEA,B,C,D1SJD0.7
MPQN-METHYL-ALPHA-PHENYL-GLYCINED1D6E0.76
HMF2-AMINO-4-PHENYL-BUTYRIC ACIDI,J1AY60.8
PF52,3,4,5,6-PENTAFLUORO-L-PHENYLALANINEA2JM00.7
4PH4-methyl-L-phenylalanineB,C3BV90.79
HPEHOMOPHENYLALANINEA,B1B1H0.8
MEAN-METHYLPHENYLALANINEA2PIL0.77
MEAN-METHYLPHENYLALANINEA,B,C,D1H0I0.77
MEAN-METHYLPHENYLALANINEA,B,I1DOJ0.77
SMF4-SULFOMETHYL-L-PHENYLALANINED,H1O0D0.71
SMF4-SULFOMETHYL-L-PHENYLALANINED,H2FES0.71
SMF4-SULFOMETHYL-L-PHENYLALANINEH,P2ANK0.71
SMF4-SULFOMETHYL-L-PHENYLALANINED,H2FEQ0.71
SMF4-SULFOMETHYL-L-PHENYLALANINEH,P2A2X0.71
SMF4-SULFOMETHYL-L-PHENYLALANINED,H1NZQ0.71
FTYDEOXY-DIFLUOROMETHELENE-PHOSPHOTYROSINEC,D1A080.72
FTYDEOXY-DIFLUOROMETHELENE-PHOSPHOTYROSINEC,D,E,F1QZ00.72
FTYDEOXY-DIFLUOROMETHELENE-PHOSPHOTYROSINEC,D,E,F1XXV0.72
IGLALPHA-AMINO-2-INDANACETIC ACIDA1BDK0.78
S17methyl 4-bromo-N-[8-(hydroxyamino)-
8-oxooctanoyl]-L-phenylalaninate
A,B,C,D2VCG0.74
APHP-AMIDINOPHENYL-3-ALANINEE,I1PPC0.75
APHP-AMIDINOPHENYL-3-ALANINEH1ETS0.75
APHP-AMIDINOPHENYL-3-ALANINEH1ETT0.75
APHP-AMIDINOPHENYL-3-ALANINEI1QUR0.75
T114-[3-(TRIFLUOROMETHYL)DIAZIRIDIN-
3-YL]-L-PHENYLALANINE
A3D6U0.72
0A9methyl L-phenylalaninateA1AY20.76
0A9methyl L-phenylalaninateI5ER10.76
0A9methyl L-phenylalaninateI,P1HDT0.76
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
MN21-CARBOXYETHYLAMINOMETHYL-4-AMINOMETHYLBENZENEN1NLO0.7
ALNNAPHTHALEN-2-YL-3-ALANINEA,B,I,J2FIV0.76
ALNNAPHTHALEN-2-YL-3-ALANINEA,B1B0H0.76
ALNNAPHTHALEN-2-YL-3-ALANINEB1FIV0.76
ALNNAPHTHALEN-2-YL-3-ALANINEA,B,I,J3FIV0.76
PG9D-PHENYLGLYCINEA,B,G,H10GS0.8
PG9D-PHENYLGLYCINEA,B,C,D2B4K0.8
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
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
1PAPHENYLMETHYLACETIC ACID ALANINEI1BHF0.76
SX12-amino-5-bromobenzoic acidA,B3CIZ0.72
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
4BA4-[(2-CARBOXY-ETHYLAMINO)-METHYL]-
BENZOIC ACID
C1FAV0.71