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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03039575

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
IBPIBUPROFENA3FKX0.73
IBPIBUPROFENA,B2BXG0.73
IBPIBUPROFENA,B1EQG0.73
IBPIBUPROFENA,B,C2WD90.73
IBPIBUPROFENA2PWS0.73
IOYP-IODO-D-PHENYLALANINEA1XBU0.77
APD3-METHYLPHENYLALANINEA,B,C1GMY0.81
APAAMIDO PHENYL PYRUVIC ACIDH,I1AHT0.7
APAAMIDO PHENYL PYRUVIC ACIDA,B,C,D1A0L0.7
APAAMIDO PHENYL PYRUVIC ACIDA1TPP0.7
PG9D-PHENYLGLYCINEA,B,G,H10GS0.86
PG9D-PHENYLGLYCINEA,B,C,D2B4K0.86
MEAN-METHYLPHENYLALANINEA2PIL0.76
MEAN-METHYLPHENYLALANINEA,B,C,D1H0I0.76
MEAN-METHYLPHENYLALANINEA,B,I1DOJ0.76
4AF4-ACETYL-L-PHENYLALANINEA1ZH60.78
ALNNAPHTHALEN-2-YL-3-ALANINEA,B,I,J2FIV0.75
ALNNAPHTHALEN-2-YL-3-ALANINEA,B1B0H0.75
ALNNAPHTHALEN-2-YL-3-ALANINEB1FIV0.75
ALNNAPHTHALEN-2-YL-3-ALANINEA,B,I,J3FIV0.75
GHP4-HYDROXYPHENYLGLYCINEA1DSR0.74
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
IGLALPHA-AMINO-2-INDANACETIC ACIDA1BDK0.76
MFD(2S,3S,8S,9S)-3-AMINO-9-METHOXY-
2,6,8-TRIMETHYL-10-PHENYLDECA-4,6-
DIENOIC ACID
A1AY30.76
PMEN-L-ALPHA-ASPARTYL L-PHENYLALANINE 1-
METHYL ESTER
H,L1A8J0.71
PSA3-HYDROXY-4-AMINO-5-PHENYLPENTANOIC ACIDI1EPL0.76
PSA3-HYDROXY-4-AMINO-5-PHENYLPENTANOIC ACIDA,B,C,D2IFW0.76
PSA3-HYDROXY-4-AMINO-5-PHENYLPENTANOIC ACIDE,I1EPM0.76
CT1(1R)-2-METHYL-1-(PHENYLMETHYL)PROPYL[(1S)-
1-FORMYLPENTYL]CARBAMATE
A2AUX0.74
AHC4-AMINOHYDROCINNAMIC ACIDA,B2AY10.7
HPHPHENYLALANINDIOLI1E5O0.7
HPHPHENYLALANINDIOLA,B1ODX0.7
HPHPHENYLALANINDIOLA,B1MTB0.7
HPHPHENYLALANINDIOLA,B2FGV0.7
HPHPHENYLALANINDIOLA1ODW0.7
HPHPHENYLALANINDIOLA,B2FGU0.7
HPHPHENYLALANINDIOLA,B1HXB0.7
DGH(2R)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1W7Q0.74
DGH(2R)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H
1W7R0.74
0A9methyl L-phenylalaninateA1AY20.86
0A9methyl L-phenylalaninateI5ER10.86
0A9methyl L-phenylalaninateI,P1HDT0.86
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
FCL3-CHLORO-L-PHENYLALANINEE,F1OKW0.73
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A,B,M,N1FJM0.79
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A1EVA0.79
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A1LCM0.79
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A,B,C,D,E,F,
G,H
2NYM0.79
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
C,I2IE30.79
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
C,F,X,Y2NPP0.79
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A1EVC0.79
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
C,F,G,H3DW80.79
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A,B,C,D,E,F,
G,H
2NYL0.79
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A1EVD0.79
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A1EVB0.79
HPQHOMOPHENYLALANINYLMETHANEB1EWP0.72
2004-CHLORO-L-PHENYLALANINEA,B2AKW0.73
IN4+/-METHYL 4-(AMINOIMINOMETHYL)-
BETA-[3- INH (AMINOIMINO)PHENYL]BENZENE PENTANOATE
A1AZ80.74
U16METHYL N-[(2S,3R)-3-AMINO-2-HYDROXY-
3-(4-ISOPROPYLPHENYL)PROPANOYL]-
D-ALANYL-D-LEUCINATE
A2GG90.75
HMF2-AMINO-4-PHENYL-BUTYRIC ACIDI,J1AY60.78
TFQ4-(2,2,2-TRIFLUOROETHYL)-L-PHENYLALANINEA3D6V0.79
HPEHOMOPHENYLALANINEA,B1B1H0.78
SMF4-SULFOMETHYL-L-PHENYLALANINED,H1O0D0.73
SMF4-SULFOMETHYL-L-PHENYLALANINED,H2FES0.73
SMF4-SULFOMETHYL-L-PHENYLALANINEH,P2ANK0.73
SMF4-SULFOMETHYL-L-PHENYLALANINED,H2FEQ0.73
SMF4-SULFOMETHYL-L-PHENYLALANINEH,P2A2X0.73
SMF4-SULFOMETHYL-L-PHENYLALANINED,H1NZQ0.73
NHL(4S)-4-(2-NAPHTHYLMETHYL)-D-GLUTAMIC ACIDA2OHV0.71
INGD-[(AMINO)CARBONYL]PHENYLALANINEA,B1UF80.71
INGD-[(AMINO)CARBONYL]PHENYLALANINEA,B,D,E1HDU0.71
PBFPARA-(BENZOYL)-PHENYLALANINEA2FR90.75
PBFPARA-(BENZOYL)-PHENYLALANINEA,B1EEN0.75
PBFPARA-(BENZOYL)-PHENYLALANINEA2HGZ0.75
PBFPARA-(BENZOYL)-PHENYLALANINEA2FRB0.75
1ZN(2S,3S,4E,6E,8S,9S)-3-amino-9-methoxy-
2,6,8-trimethyl-10-phenyldeca-4,6-
dienoic acid
C,F,M,N2IAE0.76
T114-[3-(TRIFLUOROMETHYL)DIAZIRIDIN-
3-YL]-L-PHENYLALANINE
A3D6U0.74
PHAPHENYLALANINALA,B1OB20.73
PHAPHENYLALANINALV,Y,Z2WDG0.73
PHAPHENYLALANINALV,Y,Z2WDK0.73
PHAPHENYLALANINAL1,2,4,5,A,B,
C,D,E,J,K,L,
M,N,O,P,R,S,
T,U,V,Z
1M900.73
PHAPHENYLALANINALP3SGA0.73
PHAPHENYLALANINALA,B,C,D,E,F1OB50.73
PHAPHENYLALANINALV,Y,Z2WDM0.73
PHAPHENYLALANINAL0,2,4,9,A,B,
C,H,I,J,K,L,
M,N,P,Q,R,S,
T,X,Y,Z
1KQS0.73
PHAPHENYLALANINALA,B1KDV0.73
PHAPHENYLALANINAL1,2,4,5,6,A,
B,C,D,E,J,K,
L,M,N,O,P,R,
S,T,U,V,Z
1Q860.73
PHAPHENYLALANINALA,B1KDY0.73
PHAPHENYLALANINALV,Y,Z3FIC0.73
PHAPHENYLALANINALV,Y,Z2WDH0.73
PHAPHENYLALANINALA,B1KE20.73
4BF4-BROMO-L-PHENYLALANINEA2AG60.73
1PAPHENYLMETHYLACETIC ACID ALANINEI1BHF0.83
DTYD-TYROSINEA1C4B0.72
DTYD-TYROSINEA,L1ZEA0.72
DTYD-TYROSINEA,B,C,D,E,F,
G,H
1OF60.72
DTYD-TYROSINEA,B1UNO0.72
DTYD-TYROSINEA2IGZ0.72
DTYD-TYROSINEA,B,C,H,K,L2R5D0.72
DTYD-TYROSINEA,B2Q330.72
DTYD-TYROSINEH,S2H9E0.72
DTYD-TYROSINEA,B,C,H,K,L2R5B0.72
DTYD-TYROSINEA2IH00.72
DTYD-TYROSINEA1D7T0.72
DTYD-TYROSINEA,B1XA00.72
MCG(S)-(ALPHA)-METHYL-4-CARBOXYPHENYLGLYCINEA,B1ISS0.76
BFLA,B1Q4G0.7
SEM3-AMINO-4-OXYBENZYL-2-BUTANONEA,B1THE0.72
U11METHYL N-{(2S,3R)-3-AMINO-2-HYDROXY-
3-[4-(TRIFLUOROMETHYL)PHENYL]PROPANOYL}ALANYLGLYCINATE
A2GG00.73
BNNACETYL-P-AMIDINOPHENYLALANINE2,3,48KME0.71
BNNACETYL-P-AMIDINOPHENYLALANINEH,I,J7KME0.71
U15METHYL N-[(2S,3R)-3-AMINO-2-HYDROXY-
3-(4-METHYLPHENYL)PROPANOYL]-D-
ALANYL-D-LEUCINATE
A2GG80.75
PFF4-FLUORO-L-PHENYLALANINEA3F3C0.77
PFF4-FLUORO-L-PHENYLALANINEA,C,E,F2UUE0.77
PFF4-FLUORO-L-PHENYLALANINEA1ZNT0.77
PFF4-FLUORO-L-PHENYLALANINEF,H1OL10.77
PFF4-FLUORO-L-PHENYLALANINEA,C,F,H2C5V0.77
PFF4-FLUORO-L-PHENYLALANINEE,F1OL20.77
APMM-AMIDINOPHENYL-3-ALANINEE1PPH0.76
FRFPHE-REDUCED-PHEA,I1GVX0.71
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY50.81
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY80.81
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY90.81
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XXZ0.81
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY40.81
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY60.81
OIN(1R,5S)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-
3-YL (2R)-3-HYDROXY-2-PHENYLPROPANOATE
A1TH60.71
OIN(1R,5S)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-
3-YL (2R)-3-HYDROXY-2-PHENYLPROPANOATE
A2ARM0.71
SBX1-CYCLOHEXYL-3-PHENYL-1-PROPYL-
1-(3,3-DIMETHYL-1,2-DIOXYPENTYL)-
2-PIPERIDINE CARBOXYLATE
A1FKH0.72
LLG2-aminoethyl naphthalen-1-ylacetateA3BC40.78
APHP-AMIDINOPHENYL-3-ALANINEE,I1PPC0.77
APHP-AMIDINOPHENYL-3-ALANINEH1ETS0.77
APHP-AMIDINOPHENYL-3-ALANINEH1ETT0.77
APHP-AMIDINOPHENYL-3-ALANINEI1QUR0.77
FL2FLURBIPROFEN METHYL ESTERA,B1HT50.71
ZYZ(4-{(2S)-2-[(tert-butoxycarbonyl)amino]-
3-methoxy-3-oxopropyl}phenyl)methaneseleninic acid
A3D9C0.77
NDFN-(CARBOXYCARBONYL)-D-PHENYLALANINEA1YCI0.7
ZAB(3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACIDA,B2H3S0.71
ZAB(3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACIDA,B,C,D2H4B0.71
CXAPHENYLALANINE-N-SULFONAMIDEA1IY70.76
D4P(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA1DSR0.74
D4P(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H
1W7R0.74
D4P(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1W7Q0.74
CT21-(PHENYLMETHYL)CYCLOPENTYL[(1S)-
1-FORMYLPENTYL]CARBAMATE
A2AUZ0.74
GROR-2-PHENYL-PROPRIONIC ACIDB1K5S0.71
GROR-2-PHENYL-PROPRIONIC ACIDB1KEC0.71
GROR-2-PHENYL-PROPRIONIC ACIDB1K7D0.71
HU2(2S)-({N-[(3S)-3-({N-[(2S,4E)-2-
ISOPROPYL-7-METHYLOCT-4-ENOYL]-
L-LEUCYL}AMINO)-2-OXOHEXANOYL]GLYCYL}AMINO)(PHENYL)ACETIC ACID
A,C2OC10.71
MPQN-METHYL-ALPHA-PHENYL-GLYCINED1D6E0.82
FOG(4S,5S)-5-amino-4-hydroxy-6-phenylhexanoic acidI1EED0.76
NPGN-SUCCINYL PHENYLGLYCINEA,B,C,D1SJD0.74
TA2(2R,3S)-3-AMINO-3-PHENYLPROPANE-
1,2-DIOL
A,B2IFR0.72
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
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
FTYDEOXY-DIFLUOROMETHELENE-PHOSPHOTYROSINEC,D1A080.74
FTYDEOXY-DIFLUOROMETHELENE-PHOSPHOTYROSINEC,D,E,F1QZ00.74
FTYDEOXY-DIFLUOROMETHELENE-PHOSPHOTYROSINEC,D,E,F1XXV0.74
EAB(3-{(E)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACIDA,B2H3T0.71
PHIIODO-PHENYLALANINEA1TF90.77
PHIIODO-PHENYLALANINEA,B,C,D1ORW0.77
PHIIODO-PHENYLALANINEA1T6H0.77
PHIIODO-PHENYLALANINEA,B,C1NLU0.77
PHIIODO-PHENYLALANINEA,I1GA10.77
PHIIODO-PHENYLALANINEA,I1GA40.77
PHIIODO-PHENYLALANINEP1CZI0.77
4PH4-methyl-L-phenylalanineB,C3BV90.82
PHMPHENYLALANYLMETHANEA,I1PJP0.72
PHMPHENYLALANYLMETHANEA,B,C2J9J0.72
PHMPHENYLALANYLMETHANEA,B,C2JE40.72
ZAEN-methyl-D-phenylalanineH,I,R1TBZ0.76
MN71-CARBOXY-4-ISOBUTYLAMINOMETHYLBENZENEN1NLO0.71