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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03126372

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
IOYP-IODO-D-PHENYLALANINEA1XBU0.77
APAAMIDO PHENYL PYRUVIC ACIDH,I1AHT0.7
APAAMIDO PHENYL PYRUVIC ACIDA,B,C,D1A0L0.7
APAAMIDO PHENYL PYRUVIC ACIDA1TPP0.7
528(2S)-2-[3-(AMINOMETHYL)PHENYL]-
3-{(R)-HYDROXY[(1R)-2-METHYL-1-
{[(3-PHENYLPROPYL)SULFONYL]AMINO}PROPYL]PHOSPHORYL}PROPANOIC ACID
A,B,C2PIY0.7
GROR-2-PHENYL-PROPRIONIC ACIDB1K5S0.73
GROR-2-PHENYL-PROPRIONIC ACIDB1KEC0.73
GROR-2-PHENYL-PROPRIONIC ACIDB1K7D0.73
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
GHP4-HYDROXYPHENYLGLYCINEA1DSR0.75
MPQN-METHYL-ALPHA-PHENYL-GLYCINED1D6E0.78
NPGN-SUCCINYL PHENYLGLYCINEA,B,C,D1SJD0.76
7912-PHENYLMALONIC ACIDA1O4P0.7
DTYD-TYROSINEA1C4B0.71
DTYD-TYROSINEA,L1ZEA0.71
DTYD-TYROSINEA,B,C,D,E,F,
G,H
1OF60.71
DTYD-TYROSINEA,B1UNO0.71
DTYD-TYROSINEA2IGZ0.71
DTYD-TYROSINEA,B,C,H,K,L2R5D0.71
DTYD-TYROSINEA,B2Q330.71
DTYD-TYROSINEH,S2H9E0.71
DTYD-TYROSINEA,B,C,H,K,L2R5B0.71
DTYD-TYROSINEA2IH00.71
DTYD-TYROSINEA1D7T0.71
DTYD-TYROSINEA,B1XA00.71
MN71-CARBOXY-4-ISOBUTYLAMINOMETHYLBENZENEN1NLO0.73
MTYMETA-TYROSINEA2TOH0.74
MTYMETA-TYROSINEA,B1BIQ0.74
MTYMETA-TYROSINEA1Q7O0.74
APD3-METHYLPHENYLALANINEA,B,C1GMY0.79
ZAEN-methyl-D-phenylalanineH,I,R1TBZ0.75
LLG2-aminoethyl naphthalen-1-ylacetateA3BC40.71
0A9methyl L-phenylalaninateA1AY20.74
0A9methyl L-phenylalaninateI5ER10.74
0A9methyl L-phenylalaninateI,P1HDT0.74
BIF(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACIDG,M,P,S1YYL0.78
BIF(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACIDG,M,P,S2I5Y0.78
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A,B,M,N1FJM0.76
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A1EVA0.76
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A1LCM0.76
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A,B,C,D,E,F,
G,H
2NYM0.76
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
C,I2IE30.76
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
C,F,X,Y2NPP0.76
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A1EVC0.76
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
C,F,G,H3DW80.76
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A,B,C,D,E,F,
G,H
2NYL0.76
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A1EVD0.76
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A1EVB0.76
PAC2-PHENYLACETIC ACIDB1PNL0.71
PAC2-PHENYLACETIC ACIDB1K5Q0.71
PAC2-PHENYLACETIC ACIDB1FXH0.71
PAC2-PHENYLACETIC ACIDA2ISF0.71
PAC2-PHENYLACETIC ACIDA2INE0.71
PRQ(3S)-3-amino-3-(2-nitrophenyl)propanoic acidC,F,I,L2VE60.72
BEY(2S)-3-[(R)-[(1S)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]-
2-benzylpropanoic acid
A3EBI0.71
2013-AMIDO-5-BIPHENYL-BENZOIC ACIDA2B0M0.7
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
PAB4-AMINOBENZOIC ACIDA1PBD0.71
PAB4-AMINOBENZOIC ACIDB2DZA0.71
PAB4-AMINOBENZOIC ACIDA1IUS0.71
PAB4-AMINOBENZOIC ACIDA1IUU0.71
PAB4-AMINOBENZOIC ACIDA1IUT0.71
1ZN(2S,3S,4E,6E,8S,9S)-3-amino-9-methoxy-
2,6,8-trimethyl-10-phenyldeca-4,6-
dienoic acid
C,F,M,N2IAE0.73
EAB(3-{(E)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACIDA,B2H3T0.77
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,C2OC10.7
4AF4-ACETYL-L-PHENYLALANINEA1ZH60.75
APMM-AMIDINOPHENYL-3-ALANINEE1PPH0.75
2004-CHLORO-L-PHENYLALANINEA,B2AKW0.73
ALNNAPHTHALEN-2-YL-3-ALANINEA,B,I,J2FIV0.77
ALNNAPHTHALEN-2-YL-3-ALANINEA,B1B0H0.77
ALNNAPHTHALEN-2-YL-3-ALANINEB1FIV0.77
ALNNAPHTHALEN-2-YL-3-ALANINEA,B,I,J3FIV0.77
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
MCG(S)-(ALPHA)-METHYL-4-CARBOXYPHENYLGLYCINEA,B1ISS0.74
AHC4-AMINOHYDROCINNAMIC ACIDA,B2AY10.73
DFADIPHENYLACETIC ACIDA,B,C1GMY0.71
DGH(2R)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1W7Q0.75
DGH(2R)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H
1W7R0.75
059(2S)-2-[3-(AMINOMETHYL)PHENYL]-
3-{(S)-HYDROXY[(1R)-2-METHYL-1-
{[(2-PHENYLETHYL)SULFONYL]AMINO}PROPYL]PHOSPHORYL}PROPANOIC ACID
A2PJ60.71
PG9D-PHENYLGLYCINEA,B,G,H10GS0.84
PG9D-PHENYLGLYCINEA,B,C,D2B4K0.84
ZAB(3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACIDA,B2H3S0.77
ZAB(3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACIDA,B,C,D2H4B0.77
INGD-[(AMINO)CARBONYL]PHENYLALANINEA,B1UF80.71
INGD-[(AMINO)CARBONYL]PHENYLALANINEA,B,D,E1HDU0.71
NHL(4S)-4-(2-NAPHTHYLMETHYL)-D-GLUTAMIC ACIDA2OHV0.74
PSA3-HYDROXY-4-AMINO-5-PHENYLPENTANOIC ACIDI1EPL0.77
PSA3-HYDROXY-4-AMINO-5-PHENYLPENTANOIC ACIDA,B,C,D2IFW0.77
PSA3-HYDROXY-4-AMINO-5-PHENYLPENTANOIC ACIDE,I1EPM0.77
4BF4-BROMO-L-PHENYLALANINEA2AG60.73
DPND-PHENYLALANINEP1MCS0.79
DPND-PHENYLALANINEA1GOE0.79
DPND-PHENYLALANINEA2RM90.79
DPND-PHENYLALANINEA1SOC0.79
DPND-PHENYLALANINEB,C,E,F1SFQ0.79
DPND-PHENYLALANINEI1ABJ0.79
DPND-PHENYLALANINEP1DWE0.79
DPND-PHENYLALANINEI,M1HLT0.79
DPND-PHENYLALANINEA,H,L1J9C0.79
DPND-PHENYLALANINEI,T1TMB0.79
DPND-PHENYLALANINEA2JRY0.79
DPND-PHENYLALANINEA2SOC0.79
DPND-PHENYLALANINEA2YYF0.79
DPND-PHENYLALANINEI2HGT0.79
DPND-PHENYLALANINEA,D2Q3I0.79
DPND-PHENYLALANINEA,P1MCD0.79
DPND-PHENYLALANINEP1HAO0.79
DPND-PHENYLALANINEA,B,I1Z8J0.79
DPND-PHENYLALANINEA,B,C2PGQ0.79
DPND-PHENYLALANINEC,D,H,I,L,M,
X,Y
1DVA0.79
DPND-PHENYLALANINEP1NRR0.79
DPND-PHENYLALANINEI1PPB0.79
DPND-PHENYLALANINEC,D,G,H1NU70.79
DPND-PHENYLALANINEI2HPP0.79
DPND-PHENYLALANINEB,C2OD30.79
DPND-PHENYLALANINEA1B0Q0.79
DPND-PHENYLALANINEB,C,E,F1NU90.79
DPND-PHENYLALANINEA,B,I1Z8I0.79
DPND-PHENYLALANINEH,I,J1TMU0.79
DPND-PHENYLALANINEA,B,C,D,E,F2DNS0.79
DPND-PHENYLALANINEA1GO90.79
DPND-PHENYLALANINEB,C,E,F1A0H0.79
DPND-PHENYLALANINEP1MCF0.79
DPND-PHENYLALANINEA2RME0.79
DPND-PHENYLALANINEH,I1TMT0.79
DPND-PHENYLALANINEI1ABI0.79
DPND-PHENYLALANINER1NRQ0.79
DPND-PHENYLALANINEB,C,F,G2A1D0.79
DPND-PHENYLALANINEA,B2Q330.79
DPND-PHENYLALANINEC,H,L1DAN0.79
DPND-PHENYLALANINEP1MCE0.79
DPND-PHENYLALANINEB,C,E,F2A450.79
DPND-PHENYLALANINEA2RMI0.79
DPND-PHENYLALANINEA,B,I1TQ70.79
DPND-PHENYLALANINEA1W7M0.79
DPND-PHENYLALANINEP1HAP0.79
DPND-PHENYLALANINEA,B1ORF0.79
DPND-PHENYLALANINEI1IHS0.79
DPND-PHENYLALANINEP1MCC0.79
DPND-PHENYLALANINEA2RMD0.79
DPND-PHENYLALANINEA2JQB0.79
DPND-PHENYLALANINEI2HPQ0.79
DPND-PHENYLALANINEC,E,F1SHH0.79
DPND-PHENYLALANINEA,I1CVR0.79
DPND-PHENYLALANINEL,P1AUT0.79
DPND-PHENYLALANINEP1MCI0.79
DPND-PHENYLALANINEH,I3F6U0.79
DPND-PHENYLALANINEA1BFW0.79
DPND-PHENYLALANINEH,I1HAI0.79
DPND-PHENYLALANINEB,C2THF0.79
DPND-PHENYLALANINEI1IHT0.79
DPND-PHENYLALANINEA,P1MCJ0.79
DPND-PHENYLALANINEA1TKH0.79
DPND-PHENYLALANINEC,H,L,T2FIR0.79
DPND-PHENYLALANINEA2FMZ0.79
DPND-PHENYLALANINEA1YL90.79
DPND-PHENYLALANINEI1HUT0.79
DPND-PHENYLALANINEI1FXY0.79
DPND-PHENYLALANINEA1YL80.79
DPND-PHENYLALANINEC,H,L1QFK0.79
DPND-PHENYLALANINEP1MCB0.79
BFLA,B1Q4G0.7
BR46-PHENYL-4(R)-(7-PHENYL-HEPTANOYLAMINO)-
HEXANOIC ACID
A1KQU0.73
HOP(1S,2S,5S)2-(4-GLUTARIDYLBENZYL)-
5-PHENYL-1-CYCLOHEXANOL
H,L1D6V0.71
HOP(1S,2S,5S)2-(4-GLUTARIDYLBENZYL)-
5-PHENYL-1-CYCLOHEXANOL
A,B,H,L1AXS0.71
PBFPARA-(BENZOYL)-PHENYLALANINEA2FR90.73
PBFPARA-(BENZOYL)-PHENYLALANINEA,B1EEN0.73
PBFPARA-(BENZOYL)-PHENYLALANINEA2HGZ0.73
PBFPARA-(BENZOYL)-PHENYLALANINEA2FRB0.73
247(3R)-3-amino-2,2-difluoro-3-(4-
hydroxyphenyl)propanoic acid
A,B2QVE0.72
IGLALPHA-AMINO-2-INDANACETIC ACIDA1BDK0.86
4PH4-methyl-L-phenylalanineB,C3BV90.79
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
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY50.76
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY80.76
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY90.76
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XXZ0.76
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY40.76
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY60.76
FTYDEOXY-DIFLUOROMETHELENE-PHOSPHOTYROSINEC,D1A080.72
FTYDEOXY-DIFLUOROMETHELENE-PHOSPHOTYROSINEC,D,E,F1QZ00.72
FTYDEOXY-DIFLUOROMETHELENE-PHOSPHOTYROSINEC,D,E,F1XXV0.72
MNP2-(3-NITROPHENYL)ACETIC ACIDB1AI50.7
NDFN-(CARBOXYCARBONYL)-D-PHENYLALANINEA1YCI0.7
FOG(4S,5S)-5-amino-4-hydroxy-6-phenylhexanoic acidI1EED0.79
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
CXAPHENYLALANINE-N-SULFONAMIDEA1IY70.76
HMF2-AMINO-4-PHENYL-BUTYRIC ACIDI,J1AY60.79
IBPIBUPROFENA3FKX0.71
IBPIBUPROFENA,B2BXG0.71
IBPIBUPROFENA,B1EQG0.71
IBPIBUPROFENA,B,C2WD90.71
IBPIBUPROFENA2PWS0.71
PM32-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)-
PROPIONIC ACID
A,L,M3FEA0.74
PM32-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)-
PROPIONIC ACID
P1CWD0.74
PM32-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)-
PROPIONIC ACID
L3FE70.74
PM32-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)-
PROPIONIC ACID
B2GV20.74
PM32-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)-
PROPIONIC ACID
B,D1CWE0.74
MEAN-METHYLPHENYLALANINEA2PIL0.75
MEAN-METHYLPHENYLALANINEA,B,C,D1H0I0.75
MEAN-METHYLPHENYLALANINEA,B,I1DOJ0.75
HPEHOMOPHENYLALANINEA,B1B1H0.79
TA2(2R,3S)-3-AMINO-3-PHENYLPROPANE-
1,2-DIOL
A,B2IFR0.7
MFD(2S,3S,8S,9S)-3-AMINO-9-METHOXY-
2,6,8-TRIMETHYL-10-PHENYLDECA-4,6-
DIENOIC ACID
A1AY30.73
TFQ4-(2,2,2-TRIFLUOROETHYL)-L-PHENYLALANINEA3D6V0.77
1PAPHENYLMETHYLACETIC ACID ALANINEI1BHF0.81
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
4BA4-[(2-CARBOXY-ETHYLAMINO)-METHYL]-
BENZOIC ACID
C1FAV0.71
D4P(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA1DSR0.75
D4P(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H
1W7R0.75
D4P(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1W7Q0.75