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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00065740

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
1PAPHENYLMETHYLACETIC ACID ALANINEI1BHF0.74
APD3-METHYLPHENYLALANINEA,B,C1GMY0.76
PM32-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)-
PROPIONIC ACID
A,L,M3FEA0.71
PM32-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)-
PROPIONIC ACID
P1CWD0.71
PM32-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)-
PROPIONIC ACID
L3FE70.71
PM32-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)-
PROPIONIC ACID
B2GV20.71
PM32-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)-
PROPIONIC ACID
B,D1CWE0.71
ZAEN-methyl-D-phenylalanineH,I,R1TBZ0.73
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY50.7
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY80.7
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY90.7
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XXZ0.7
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY40.7
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY60.7
SUB3-PHENYL-2-{[4-(TOLUENE-4-SULFONYL)-
THIOMORPHOLINE-3-CARBONYL]-AMINO}-
PROPIONIC ACID ETHYL ESTER
A1J4H0.7
IOYP-IODO-D-PHENYLALANINEA1XBU0.74
M29ETHYL 3-[4-(AMINOSULFONYL)PHENYL]PROPANOATEA2NNV0.76
M29ETHYL 3-[4-(AMINOSULFONYL)PHENYL]PROPANOATEA,B2NN70.76
BR46-PHENYL-4(R)-(7-PHENYL-HEPTANOYLAMINO)-
HEXANOIC ACID
A1KQU0.71
TPX(2S,3S)-3-FORMYL-2-({[(4-METHYLPHENYL)SULFONYL]AMINO}METHYL)PENTANOIC ACIDA1QGF0.82
TPX(2S,3S)-3-FORMYL-2-({[(4-METHYLPHENYL)SULFONYL]AMINO}METHYL)PENTANOIC ACIDB1E340.82
TPX(2S,3S)-3-FORMYL-2-({[(4-METHYLPHENYL)SULFONYL]AMINO}METHYL)PENTANOIC ACIDB1E350.82
528(2S)-2-[3-(AMINOMETHYL)PHENYL]-
3-{(R)-HYDROXY[(1R)-2-METHYL-1-
{[(3-PHENYLPROPYL)SULFONYL]AMINO}PROPYL]PHOSPHORYL}PROPANOIC ACID
A,B,C2PIY0.73
235(2S)-2-[3-(AMINOMETHYL)PHENYL]-
3-[(R)-HYDROXY{(1R)-2-METHYL-1-
[(PHENYLSULFONYL)AMINO]PROPYL}PHOSPHORYL]PROPANOIC ACID
A,B,C2PJ70.77
TP34-[[GLUTAMIC ACID]-CARBONYL]-BENZENE-
SULFONYL-D-PROLINE
A,B1F4F0.7
ALNNAPHTHALEN-2-YL-3-ALANINEA,B,I,J2FIV0.72
ALNNAPHTHALEN-2-YL-3-ALANINEA,B1B0H0.72
ALNNAPHTHALEN-2-YL-3-ALANINEB1FIV0.72
ALNNAPHTHALEN-2-YL-3-ALANINEA,B,I,J3FIV0.72
BSI2-(BIPHENYL-4-SULFONYL)-1,2,3,4-
TETRAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID
A1BZS0.72
BSI2-(BIPHENYL-4-SULFONYL)-1,2,3,4-
TETRAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID
A1I760.72
0A9methyl L-phenylalaninateA1AY20.72
0A9methyl L-phenylalaninateI5ER10.72
0A9methyl L-phenylalaninateI,P1HDT0.72
NHL(4S)-4-(2-NAPHTHYLMETHYL)-D-GLUTAMIC ACIDA2OHV0.71
BIF(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACIDG,M,P,S1YYL0.75
BIF(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACIDG,M,P,S2I5Y0.75
17A(2S)-2-[3-(AMINOMETHYL)PHENYL]-
3-[(R)-{(1R)-1-[(BIPHENYL-4-YLSULFONYL)AMINO]-
2-METHYLPROPYL}(HYDROXY)PHOSPHORYL]PROPANOIC ACID
A,B,C2PJ80.76
PG9D-PHENYLGLYCINEA,B,G,H10GS0.71
PG9D-PHENYLGLYCINEA,B,C,D2B4K0.71
4PH4-methyl-L-phenylalanineB,C3BV90.76
SMF4-SULFOMETHYL-L-PHENYLALANINED,H1O0D0.79
SMF4-SULFOMETHYL-L-PHENYLALANINED,H2FES0.79
SMF4-SULFOMETHYL-L-PHENYLALANINEH,P2ANK0.79
SMF4-SULFOMETHYL-L-PHENYLALANINED,H2FEQ0.79
SMF4-SULFOMETHYL-L-PHENYLALANINEH,P2A2X0.79
SMF4-SULFOMETHYL-L-PHENYLALANINED,H1NZQ0.79
4AF4-ACETYL-L-PHENYLALANINEA1ZH60.71
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A,B,M,N1FJM0.73
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A1EVA0.73
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A1LCM0.73
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A,B,C,D,E,F,
G,H
2NYM0.73
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
C,I2IE30.73
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
C,F,X,Y2NPP0.73
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A1EVC0.73
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
C,F,G,H3DW80.73
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A,B,C,D,E,F,
G,H
2NYL0.73
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A1EVD0.73
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A1EVB0.73
915(2R)-2-{[(4-FLUORO-3-METHYLPHENYL)SULFONYL]AMINO}-
N-HYDROXY-2-TETRAHYDRO-2H-PYRAN-
4-YLACETAMIDE
A1YQY0.74
C3MN-[(2R,3S)-3-AMINO-2-HYDROXY-4-
PHENYLBUTYL]NAPHTHALENE-2-SULFONAMIDE
B,I2C8Y0.7
059(2S)-2-[3-(AMINOMETHYL)PHENYL]-
3-{(S)-HYDROXY[(1R)-2-METHYL-1-
{[(2-PHENYLETHYL)SULFONYL]AMINO}PROPYL]PHOSPHORYL}PROPANOIC ACID
A2PJ60.73
TST4-METHYL-2-{[4-(TOLUENE-4-SULFONYL)-
THIOMORPHOLINE-3-CARBONYL]-AMINO}-
PENTANOIC ACID
A1J4I0.73
FRFPHE-REDUCED-PHEA,I1GVX0.71
BDLN-(biphenyl-4-ylsulfonyl)-D-leucineA3EHX0.86
PHIIODO-PHENYLALANINEA1TF90.74
PHIIODO-PHENYLALANINEA,B,C,D1ORW0.74
PHIIODO-PHENYLALANINEA1T6H0.74
PHIIODO-PHENYLALANINEA,B,C1NLU0.74
PHIIODO-PHENYLALANINEA,I1GA10.74
PHIIODO-PHENYLALANINEA,I1GA40.74
PHIIODO-PHENYLALANINEP1CZI0.74
DPND-PHENYLALANINEP1MCS0.76
DPND-PHENYLALANINEA1GOE0.76
DPND-PHENYLALANINEA2RM90.76
DPND-PHENYLALANINEA1SOC0.76
DPND-PHENYLALANINEB,C,E,F1SFQ0.76
DPND-PHENYLALANINEI1ABJ0.76
DPND-PHENYLALANINEP1DWE0.76
DPND-PHENYLALANINEI,M1HLT0.76
DPND-PHENYLALANINEA,H,L1J9C0.76
DPND-PHENYLALANINEI,T1TMB0.76
DPND-PHENYLALANINEA2JRY0.76
DPND-PHENYLALANINEA2SOC0.76
DPND-PHENYLALANINEA2YYF0.76
DPND-PHENYLALANINEI2HGT0.76
DPND-PHENYLALANINEA,D2Q3I0.76
DPND-PHENYLALANINEA,P1MCD0.76
DPND-PHENYLALANINEP1HAO0.76
DPND-PHENYLALANINEA,B,I1Z8J0.76
DPND-PHENYLALANINEA,B,C2PGQ0.76
DPND-PHENYLALANINEC,D,H,I,L,M,
X,Y
1DVA0.76
DPND-PHENYLALANINEP1NRR0.76
DPND-PHENYLALANINEI1PPB0.76
DPND-PHENYLALANINEC,D,G,H1NU70.76
DPND-PHENYLALANINEI2HPP0.76
DPND-PHENYLALANINEB,C2OD30.76
DPND-PHENYLALANINEA1B0Q0.76
DPND-PHENYLALANINEB,C,E,F1NU90.76
DPND-PHENYLALANINEA,B,I1Z8I0.76
DPND-PHENYLALANINEH,I,J1TMU0.76
DPND-PHENYLALANINEA,B,C,D,E,F2DNS0.76
DPND-PHENYLALANINEA1GO90.76
DPND-PHENYLALANINEB,C,E,F1A0H0.76
DPND-PHENYLALANINEP1MCF0.76
DPND-PHENYLALANINEA2RME0.76
DPND-PHENYLALANINEH,I1TMT0.76
DPND-PHENYLALANINEI1ABI0.76
DPND-PHENYLALANINER1NRQ0.76
DPND-PHENYLALANINEB,C,F,G2A1D0.76
DPND-PHENYLALANINEA,B2Q330.76
DPND-PHENYLALANINEC,H,L1DAN0.76
DPND-PHENYLALANINEP1MCE0.76
DPND-PHENYLALANINEB,C,E,F2A450.76
DPND-PHENYLALANINEA2RMI0.76
DPND-PHENYLALANINEA,B,I1TQ70.76
DPND-PHENYLALANINEA1W7M0.76
DPND-PHENYLALANINEP1HAP0.76
DPND-PHENYLALANINEA,B1ORF0.76
DPND-PHENYLALANINEI1IHS0.76
DPND-PHENYLALANINEP1MCC0.76
DPND-PHENYLALANINEA2RMD0.76
DPND-PHENYLALANINEA2JQB0.76
DPND-PHENYLALANINEI2HPQ0.76
DPND-PHENYLALANINEC,E,F1SHH0.76
DPND-PHENYLALANINEA,I1CVR0.76
DPND-PHENYLALANINEL,P1AUT0.76
DPND-PHENYLALANINEP1MCI0.76
DPND-PHENYLALANINEH,I3F6U0.76
DPND-PHENYLALANINEA1BFW0.76
DPND-PHENYLALANINEH,I1HAI0.76
DPND-PHENYLALANINEB,C2THF0.76
DPND-PHENYLALANINEI1IHT0.76
DPND-PHENYLALANINEA,P1MCJ0.76
DPND-PHENYLALANINEA1TKH0.76
DPND-PHENYLALANINEC,H,L,T2FIR0.76
DPND-PHENYLALANINEA2FMZ0.76
DPND-PHENYLALANINEA1YL90.76
DPND-PHENYLALANINEI1HUT0.76
DPND-PHENYLALANINEI1FXY0.76
DPND-PHENYLALANINEA1YL80.76
DPND-PHENYLALANINEC,H,L1QFK0.76
DPND-PHENYLALANINEP1MCB0.76
TCKN-[(1S)-5-amino-1-(chloroacetyl)pentyl]-
4-methylbenzenesulfonamide
A1ARC0.74
SEBO-BENZYLSULFONYL-SERINEA,B,C,D2APJ0.71
SEBO-BENZYLSULFONYL-SERINEA1IAV0.71
SEBO-BENZYLSULFONYL-SERINEA,B1IEC0.71
SEBO-BENZYLSULFONYL-SERINEA1ZIY0.71
SEBO-BENZYLSULFONYL-SERINEA1C9N0.71
SEBO-BENZYLSULFONYL-SERINEA1ZJ40.71
SEBO-BENZYLSULFONYL-SERINEA1GGV0.71
SEBO-BENZYLSULFONYL-SERINEA1Q5P0.71
SEBO-BENZYLSULFONYL-SERINEA1PQA0.71
SEBO-BENZYLSULFONYL-SERINEA1ZJ50.71
SEBO-BENZYLSULFONYL-SERINEA1C9M0.71
M283-[4-(AMINOSULFONYL)PHENYL]PROPANOIC ACIDA,B2NN10.81
M283-[4-(AMINOSULFONYL)PHENYL]PROPANOIC ACIDA2NNO0.81
BEY(2S)-3-[(R)-[(1S)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]-
2-benzylpropanoic acid
A3EBI0.74
MEAN-METHYLPHENYLALANINEA2PIL0.73
MEAN-METHYLPHENYLALANINEA,B,C,D1H0I0.73
MEAN-METHYLPHENYLALANINEA,B,I1DOJ0.73
PBFPARA-(BENZOYL)-PHENYLALANINEA2FR90.7
PBFPARA-(BENZOYL)-PHENYLALANINEA,B1EEN0.7
PBFPARA-(BENZOYL)-PHENYLALANINEA2HGZ0.7
PBFPARA-(BENZOYL)-PHENYLALANINEA2FRB0.7
2BL(3R)-3-ethyl-N-[(4-methylphenyl)sulfonyl]-
L-aspartic acid
A1BTU0.84
FOG(4S,5S)-5-amino-4-hydroxy-6-phenylhexanoic acidI1EED0.76
PFF4-FLUORO-L-PHENYLALANINEA3F3C0.74
PFF4-FLUORO-L-PHENYLALANINEA,C,E,F2UUE0.74
PFF4-FLUORO-L-PHENYLALANINEA1ZNT0.74
PFF4-FLUORO-L-PHENYLALANINEF,H1OL10.74
PFF4-FLUORO-L-PHENYLALANINEA,C,F,H2C5V0.74
PFF4-FLUORO-L-PHENYLALANINEE,F1OL20.74
CXAPHENYLALANINE-N-SULFONAMIDEA1IY70.79
TFQ4-(2,2,2-TRIFLUOROETHYL)-L-PHENYLALANINEA3D6V0.72
MUWN-{(5S)-5-[{[4-(AMINOMETHYL)PHENYL]SULFONYL}(ISOBUTYL)AMINO]-
6-HYDROXYHEXYL}-NALPHA-(METHOXYCARBONYL)-
BETA-PHENYL-L-PHENYLALANINAMIDE
A,B2Q3K0.71
HMF2-AMINO-4-PHENYL-BUTYRIC ACIDI,J1AY60.76
TPRTOSYL-D-PROLINEA1F4E0.79
NALBETA-(2-NAPHTHYL)-ALANINEA,B2ITK0.72
NALBETA-(2-NAPHTHYL)-ALANINEH,I4THN0.72
NALBETA-(2-NAPHTHYL)-ALANINEA,B2Q5A0.72
NALBETA-(2-NAPHTHYL)-ALANINEA1ZWU0.72
NALBETA-(2-NAPHTHYL)-ALANINEA1SKL0.72
NALBETA-(2-NAPHTHYL)-ALANINEH,I5GDS0.72
NALBETA-(2-NAPHTHYL)-ALANINEA1ZH00.72
NALBETA-(2-NAPHTHYL)-ALANINEA,B2JT90.72
HPEHOMOPHENYLALANINEA,B1B1H0.76
IGLALPHA-AMINO-2-INDANACETIC ACIDA1BDK0.73