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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00017517

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
CLT4-PHENYL-BUTANOIC ACIDA1THL0.74
CLT4-PHENYL-BUTANOIC ACIDA,B2AY70.74
CLT4-PHENYL-BUTANOIC ACIDE,I1TMN0.74
FLPFLURBIPROFENA,B,C,D3PGH0.72
FLPFLURBIPROFENA,B1CQE0.72
FLPFLURBIPROFENA,B1EQH0.72
FLPFLURBIPROFENA,B2AYL0.72
FLPFLURBIPROFENA1DVT0.72
FLPFLURBIPROFENA1R9O0.72
NHL(4S)-4-(2-NAPHTHYLMETHYL)-D-GLUTAMIC ACIDA2OHV0.83
FOG(4S,5S)-5-amino-4-hydroxy-6-phenylhexanoic acidI1EED0.74
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
NLANAPHTHALEN-1-YL-ACETIC ACIDA,B,C,D1LRH0.83
NLANAPHTHALEN-1-YL-ACETIC ACIDB2P1O0.83
5646-(5,5,8,8-TETRAMETHYL-5,6,7,8-
TETRAHYDRO-NAPHTALENE-2-CARBONYL)-
NAPHTALENE-2-CARBOXYLIC ACID
A1FCY0.7
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
ALNNAPHTHALEN-2-YL-3-ALANINEA,B,I,J2FIV0.93
ALNNAPHTHALEN-2-YL-3-ALANINEA,B1B0H0.93
ALNNAPHTHALEN-2-YL-3-ALANINEB1FIV0.93
ALNNAPHTHALEN-2-YL-3-ALANINEA,B,I,J3FIV0.93
2013-AMIDO-5-BIPHENYL-BENZOIC ACIDA2B0M0.74
IGLALPHA-AMINO-2-INDANACETIC ACIDA1BDK0.81
HPIN-(1-CARBOXY-3-PHENYLPROPYL)PHENYLALANYL-
ALPHA-ASPARAGINE
A1U4G0.7
PH0N-{(2S)-3-[(R)-[(1R)-1-amino-2-
phenylethyl](hydroxy)phosphoryl]-
2-benzylpropanoyl}-L-phenylalanine
A2R590.72
1564-[3-OXO-3-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-
YL)-PROPENYL]-BENZOIC ACID
A1FCZ0.7
23N(2R)-2-benzyl-3-nitropropanoic acidA2RFH0.7
PG9D-PHENYLGLYCINEA,B,G,H10GS0.77
PG9D-PHENYLGLYCINEA,B,C,D2B4K0.77
BIF(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACIDG,M,P,S1YYL0.86
BIF(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACIDG,M,P,S2I5Y0.86
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
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
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
AHC4-AMINOHYDROCINNAMIC ACIDA,B2AY10.74
PAC2-PHENYLACETIC ACIDB1PNL0.71
PAC2-PHENYLACETIC ACIDB1K5Q0.71
PAC2-PHENYLACETIC ACIDB1FXH0.71
PAC2-PHENYLACETIC ACIDA2ISF0.71
PAC2-PHENYLACETIC ACIDA2INE0.71
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
FCL3-CHLORO-L-PHENYLALANINEE,F1OKW0.75
IBPIBUPROFENA3FKX0.7
IBPIBUPROFENA,B2BXG0.7
IBPIBUPROFENA,B1EQG0.7
IBPIBUPROFENA,B,C2WD90.7
IBPIBUPROFENA2PWS0.7
MTYMETA-TYROSINEA2TOH0.7
MTYMETA-TYROSINEA,B1BIQ0.7
MTYMETA-TYROSINEA1Q7O0.7
PPT3-(P-TOLYL)PROPIONIC ACIDA,B2AY40.73
MCG(S)-(ALPHA)-METHYL-4-CARBOXYPHENYLGLYCINEA,B1ISS0.75
AN13-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACIDH,Y1LO30.83
APMM-AMIDINOPHENYL-3-ALANINEE1PPH0.75
LLG2-aminoethyl naphthalen-1-ylacetateA3BC40.8
5PV5-PHENYLVALERIC ACIDA,B2AY90.74
GROR-2-PHENYL-PROPRIONIC ACIDB1K5S0.72
GROR-2-PHENYL-PROPRIONIC ACIDB1KEC0.72
GROR-2-PHENYL-PROPRIONIC ACIDB1K7D0.72
APD3-METHYLPHENYLALANINEA,B,C1GMY0.83
TFQ4-(2,2,2-TRIFLUOROETHYL)-L-PHENYLALANINEA3D6V0.79
TTB4-[(1E)-2-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRONAPHTHALEN-2-
YL)PROP-1-ENYL]BENZOIC ACID
A1XAP0.72
2004-CHLORO-L-PHENYLALANINEA,B2AKW0.75
HPEHOMOPHENYLALANINEA,B1B1H0.82
NAMNAM NAPTHYLAMINOALANINEA,B,I,J3FIV0.77
NAMNAM NAPTHYLAMINOALANINEA,B,I,J2FIV0.77
NDFN-(CARBOXYCARBONYL)-D-PHENYLALANINEA1YCI0.72
HMF2-AMINO-4-PHENYL-BUTYRIC ACIDI,J1AY60.82
SBDD-NAPHTHYL-1-ACETAMIDO BORONIC ACID ALANINEA3VSB0.72
4BF4-BROMO-L-PHENYLALANINEA2AG60.75
4PH4-methyl-L-phenylalanineB,C3BV90.81
4AF4-ACETYL-L-PHENYLALANINEA1ZH60.76
BR46-PHENYL-4(R)-(7-PHENYL-HEPTANOYLAMINO)-
HEXANOIC ACID
A1KQU0.73
MPQN-METHYL-ALPHA-PHENYL-GLYCINED1D6E0.71
PF52,3,4,5,6-PENTAFLUORO-L-PHENYLALANINEA2JM00.72
INFD-[(N-HYDROXYAMINO)CARBONYL]PHENYLALANINEA1HDQ0.71
MEAN-METHYLPHENYLALANINEA2PIL0.77
MEAN-METHYLPHENYLALANINEA,B,C,D1H0I0.77
MEAN-METHYLPHENYLALANINEA,B,I1DOJ0.77
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
FRFPHE-REDUCED-PHEA,I1GVX0.76
NALBETA-(2-NAPHTHYL)-ALANINEA,B2ITK0.92
NALBETA-(2-NAPHTHYL)-ALANINEH,I4THN0.92
NALBETA-(2-NAPHTHYL)-ALANINEA,B2Q5A0.92
NALBETA-(2-NAPHTHYL)-ALANINEA1ZWU0.92
NALBETA-(2-NAPHTHYL)-ALANINEA1SKL0.92
NALBETA-(2-NAPHTHYL)-ALANINEH,I5GDS0.92
NALBETA-(2-NAPHTHYL)-ALANINEA1ZH00.92
NALBETA-(2-NAPHTHYL)-ALANINEA,B2JT90.92
PTMALPHA-METHYL-O-PHOSPHOTYROSINEH,L1JYQ0.71
DFADIPHENYLACETIC ACIDA,B,C1GMY0.75
BEY(2S)-3-[(R)-[(1S)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]-
2-benzylpropanoic acid
A3EBI0.74
0A9methyl L-phenylalaninateA1AY20.76
0A9methyl L-phenylalaninateI5ER10.76
0A9methyl L-phenylalaninateI,P1HDT0.76
SBLL-NAPHTHYL-1-ACETAMIDO BORONIC ACID ALANINEA1AV70.72
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
PBFPARA-(BENZOYL)-PHENYLALANINEA2FR90.78
PBFPARA-(BENZOYL)-PHENYLALANINEA,B1EEN0.78
PBFPARA-(BENZOYL)-PHENYLALANINEA2HGZ0.78
PBFPARA-(BENZOYL)-PHENYLALANINEA2FRB0.78
1PAPHENYLMETHYLACETIC ACID ALANINEI1BHF0.79
APHP-AMIDINOPHENYL-3-ALANINEE,I1PPC0.73
APHP-AMIDINOPHENYL-3-ALANINEH1ETS0.73
APHP-AMIDINOPHENYL-3-ALANINEH1ETT0.73
APHP-AMIDINOPHENYL-3-ALANINEI1QUR0.73
BIP2-BENZYL-3-IODOPROPANOIC ACIDA,B,C,D1BAV0.71
FTYDEOXY-DIFLUOROMETHELENE-PHOSPHOTYROSINEC,D1A080.74
FTYDEOXY-DIFLUOROMETHELENE-PHOSPHOTYROSINEC,D,E,F1QZ00.74
FTYDEOXY-DIFLUOROMETHELENE-PHOSPHOTYROSINEC,D,E,F1XXV0.74
NDD2,6-DICARBOXYNAPHTHALENEA1U4O0.74
NDD2,6-DICARBOXYNAPHTHALENEA,B,C,D1HAC0.74
IOYP-IODO-D-PHENYLALANINEA1XBU0.8
BFLA,B1Q4G0.74
BNABIS-(NAPHTHYL-1-METHYL) ACETIC ACIDI4ER10.82
BNABIS-(NAPHTHYL-1-METHYL) ACETIC ACIDA1FQ50.82
KPV5-PHENYL-2-KETO-VALERIC ACIDA,B2Q5Q0.71
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
BZSL-BENZYLSUCCINIC ACIDA1CBX0.72
BZSL-BENZYLSUCCINIC ACIDA1HYT0.72
BZSL-BENZYLSUCCINIC ACIDA,B1WHT0.72
T114-[3-(TRIFLUOROMETHYL)DIAZIRIDIN-
3-YL]-L-PHENYLALANINE
A3D6U0.7
OX1H,Y1LO20.7