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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00000921

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
23N(2R)-2-benzyl-3-nitropropanoic acidA2RFH0.72
PPNPARA-NITROPHENYLALANINEI1YTJ0.71
TFQ4-(2,2,2-TRIFLUOROETHYL)-L-PHENYLALANINEA3D6V0.8
DPHDEAMINO-METHYL-PHENYLALANINEA1OS00.7
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJI0.7
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJJ0.7
DPHDEAMINO-METHYL-PHENYLALANINEA,B2VS20.7
DPHDEAMINO-METHYL-PHENYLALANINEA,B1OD10.7
DPHDEAMINO-METHYL-PHENYLALANINEE1EPR0.7
APMM-AMIDINOPHENYL-3-ALANINEE1PPH0.77
4AF4-ACETYL-L-PHENYLALANINEA1ZH60.78
247(3R)-3-amino-2,2-difluoro-3-(4-
hydroxyphenyl)propanoic acid
A,B2QVE0.71
FOG(4S,5S)-5-amino-4-hydroxy-6-phenylhexanoic acidI1EED0.74
5PV5-PHENYLVALERIC ACIDA,B2AY90.7
NPGN-SUCCINYL PHENYLGLYCINEA,B,C,D1SJD0.71
BNNACETYL-P-AMIDINOPHENYLALANINE2,3,48KME0.72
BNNACETYL-P-AMIDINOPHENYLALANINEH,I,J7KME0.72
INFD-[(N-HYDROXYAMINO)CARBONYL]PHENYLALANINEA1HDQ0.7
PF52,3,4,5,6-PENTAFLUORO-L-PHENYLALANINEA2JM00.71
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
PPT3-(P-TOLYL)PROPIONIC ACIDA,B2AY40.72
PFF4-FLUORO-L-PHENYLALANINEA3F3C0.79
PFF4-FLUORO-L-PHENYLALANINEA,C,E,F2UUE0.79
PFF4-FLUORO-L-PHENYLALANINEA1ZNT0.79
PFF4-FLUORO-L-PHENYLALANINEF,H1OL10.79
PFF4-FLUORO-L-PHENYLALANINEA,C,F,H2C5V0.79
PFF4-FLUORO-L-PHENYLALANINEE,F1OL20.79
INGD-[(AMINO)CARBONYL]PHENYLALANINEA,B1UF80.72
INGD-[(AMINO)CARBONYL]PHENYLALANINEA,B,D,E1HDU0.72
ZAEN-methyl-D-phenylalanineH,I,R1TBZ0.77
AHC4-AMINOHYDROCINNAMIC ACIDA,B2AY10.74
DBY3,5 DIBROMOTYROSINEC,D1EBA0.76
4BF4-BROMO-L-PHENYLALANINEA2AG60.88
BR46-PHENYL-4(R)-(7-PHENYL-HEPTANOYLAMINO)-
HEXANOIC ACID
A1KQU0.71
NALBETA-(2-NAPHTHYL)-ALANINEA,B2ITK0.76
NALBETA-(2-NAPHTHYL)-ALANINEH,I4THN0.76
NALBETA-(2-NAPHTHYL)-ALANINEA,B2Q5A0.76
NALBETA-(2-NAPHTHYL)-ALANINEA1ZWU0.76
NALBETA-(2-NAPHTHYL)-ALANINEA1SKL0.76
NALBETA-(2-NAPHTHYL)-ALANINEH,I5GDS0.76
NALBETA-(2-NAPHTHYL)-ALANINEA1ZH00.76
NALBETA-(2-NAPHTHYL)-ALANINEA,B2JT90.76
2004-CHLORO-L-PHENYLALANINEA,B2AKW0.74
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
HPQHOMOPHENYLALANINYLMETHANEB1EWP0.7
FCL3-CHLORO-L-PHENYLALANINEE,F1OKW0.74
B3Y(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACIDA3HF00.72
B3Y(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACIDA2OXK0.72
B3Y(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACIDA,B,C2OXJ0.72
APD3-METHYLPHENYLALANINEA,B,C1GMY0.82
PHIIODO-PHENYLALANINEA1TF90.79
PHIIODO-PHENYLALANINEA,B,C,D1ORW0.79
PHIIODO-PHENYLALANINEA1T6H0.79
PHIIODO-PHENYLALANINEA,B,C1NLU0.79
PHIIODO-PHENYLALANINEA,I1GA10.79
PHIIODO-PHENYLALANINEA,I1GA40.79
PHIIODO-PHENYLALANINEP1CZI0.79
CXAPHENYLALANINE-N-SULFONAMIDEA1IY70.77
0A9methyl L-phenylalaninateA1AY20.77
0A9methyl L-phenylalaninateI5ER10.77
0A9methyl L-phenylalaninateI,P1HDT0.77
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
PRQ(3S)-3-amino-3-(2-nitrophenyl)propanoic acidC,F,I,L2VE60.7
NDFN-(CARBOXYCARBONYL)-D-PHENYLALANINEA1YCI0.72
S17methyl 4-bromo-N-[8-(hydroxyamino)-
8-oxooctanoyl]-L-phenylalaninate
A,B,C,D2VCG0.73
APAAMIDO PHENYL PYRUVIC ACIDH,I1AHT0.71
APAAMIDO PHENYL PYRUVIC ACIDA,B,C,D1A0L0.71
APAAMIDO PHENYL PYRUVIC ACIDA1TPP0.71
APHP-AMIDINOPHENYL-3-ALANINEE,I1PPC0.78
APHP-AMIDINOPHENYL-3-ALANINEH1ETS0.78
APHP-AMIDINOPHENYL-3-ALANINEH1ETT0.78
APHP-AMIDINOPHENYL-3-ALANINEI1QUR0.78
MCG(S)-(ALPHA)-METHYL-4-CARBOXYPHENYLGLYCINEA,B1ISS0.71
IOYP-IODO-D-PHENYLALANINEA1XBU0.79
PM32-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)-
PROPIONIC ACID
A,L,M3FEA0.77
PM32-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)-
PROPIONIC ACID
P1CWD0.77
PM32-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)-
PROPIONIC ACID
L3FE70.77
PM32-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)-
PROPIONIC ACID
B2GV20.77
PM32-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)-
PROPIONIC ACID
B,D1CWE0.77
MPQN-METHYL-ALPHA-PHENYL-GLYCINED1D6E0.76
PBBS-(4-BROMOBENZYL)CYSTEINEA,B,C,D1AQV0.71
1PAPHENYLMETHYLACETIC ACID ALANINEI1BHF0.8
MEAN-METHYLPHENYLALANINEA2PIL0.77
MEAN-METHYLPHENYLALANINEA,B,C,D1H0I0.77
MEAN-METHYLPHENYLALANINEA,B,I1DOJ0.77
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
FRFPHE-REDUCED-PHEA,I1GVX0.71
T114-[3-(TRIFLUOROMETHYL)DIAZIRIDIN-
3-YL]-L-PHENYLALANINE
A3D6U0.75
PBFPARA-(BENZOYL)-PHENYLALANINEA2FR90.74
PBFPARA-(BENZOYL)-PHENYLALANINEA,B1EEN0.74
PBFPARA-(BENZOYL)-PHENYLALANINEA2HGZ0.74
PBFPARA-(BENZOYL)-PHENYLALANINEA2FRB0.74
LHYL-[(N-HYDROXYAMINO)CARBONYL]PHENYLALANINEA,B,D,E1HEE0.7
BEY(2S)-3-[(R)-[(1S)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]-
2-benzylpropanoic acid
A3EBI0.7
MFD(2S,3S,8S,9S)-3-AMINO-9-METHOXY-
2,6,8-TRIMETHYL-10-PHENYLDECA-4,6-
DIENOIC ACID
A1AY30.74
PHMPHENYLALANYLMETHANEA,I1PJP0.7
PHMPHENYLALANYLMETHANEA,B,C2J9J0.7
PHMPHENYLALANYLMETHANEA,B,C2JE40.7
HMF2-AMINO-4-PHENYL-BUTYRIC ACIDI,J1AY60.79
PG9D-PHENYLGLYCINEA,B,G,H10GS0.8
PG9D-PHENYLGLYCINEA,B,C,D2B4K0.8
FTYDEOXY-DIFLUOROMETHELENE-PHOSPHOTYROSINEC,D1A080.75
FTYDEOXY-DIFLUOROMETHELENE-PHOSPHOTYROSINEC,D,E,F1QZ00.75
FTYDEOXY-DIFLUOROMETHELENE-PHOSPHOTYROSINEC,D,E,F1XXV0.75
HPEHOMOPHENYLALANINEA,B1B1H0.79
TA2(2R,3S)-3-AMINO-3-PHENYLPROPANE-
1,2-DIOL
A,B2IFR0.7
IGLALPHA-AMINO-2-INDANACETIC ACIDA1BDK0.75
BIF(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACIDG,M,P,S1YYL0.8
BIF(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACIDG,M,P,S2I5Y0.8
4PH4-methyl-L-phenylalanineB,C3BV90.83
SX12-amino-5-bromobenzoic acidA,B3CIZ0.72
4BA4-[(2-CARBOXY-ETHYLAMINO)-METHYL]-
BENZOIC ACID
C1FAV0.71
PSA3-HYDROXY-4-AMINO-5-PHENYLPENTANOIC ACIDI1EPL0.75
PSA3-HYDROXY-4-AMINO-5-PHENYLPENTANOIC ACIDA,B,C,D2IFW0.75
PSA3-HYDROXY-4-AMINO-5-PHENYLPENTANOIC ACIDE,I1EPM0.75
MN21-CARBOXYETHYLAMINOMETHYL-4-AMINOMETHYLBENZENEN1NLO0.72
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
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY50.8
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY80.8
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY90.8
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XXZ0.8
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY40.8
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY60.8