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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00847586

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
1ZN(2S,3S,4E,6E,8S,9S)-3-amino-9-methoxy-
2,6,8-trimethyl-10-phenyldeca-4,6-
dienoic acid
C,F,M,N2IAE0.7
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B2OUA0.71
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B,C,D2AJC0.71
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B3PRO0.71
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B2PFE0.71
TPRTOSYL-D-PROLINEA1F4E0.85
4PH4-methyl-L-phenylalanineB,C3BV90.78
2004-CHLORO-L-PHENYLALANINEA,B2AKW0.72
2BL(3R)-3-ethyl-N-[(4-methylphenyl)sulfonyl]-
L-aspartic acid
A1BTU0.94
FTYDEOXY-DIFLUOROMETHELENE-PHOSPHOTYROSINEC,D1A080.71
FTYDEOXY-DIFLUOROMETHELENE-PHOSPHOTYROSINEC,D,E,F1QZ00.71
FTYDEOXY-DIFLUOROMETHELENE-PHOSPHOTYROSINEC,D,E,F1XXV0.71
PFF4-FLUORO-L-PHENYLALANINEA3F3C0.76
PFF4-FLUORO-L-PHENYLALANINEA,C,E,F2UUE0.76
PFF4-FLUORO-L-PHENYLALANINEA1ZNT0.76
PFF4-FLUORO-L-PHENYLALANINEF,H1OL10.76
PFF4-FLUORO-L-PHENYLALANINEA,C,F,H2C5V0.76
PFF4-FLUORO-L-PHENYLALANINEE,F1OL20.76
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY50.72
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY80.72
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY90.72
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XXZ0.72
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY40.72
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY60.72
TP4N-[4-[[GLUTAMIC ACID]-CARBONYL]-
BENZENE-SULFONYL-D-PROLINYL]-3-
AMINO-PROPANOIC ACID
A,B1F4G0.7
PBBS-(4-BROMOBENZYL)CYSTEINEA,B,C,D1AQV0.7
FCL3-CHLORO-L-PHENYLALANINEE,F1OKW0.72
ZYX4-(2-AMINOETHYL)BENZENESULFONAMIDEA2NNG0.75
FRFPHE-REDUCED-PHEA,I1GVX0.7
4AF4-ACETYL-L-PHENYLALANINEA1ZH60.72
ZAEN-methyl-D-phenylalanineH,I,R1TBZ0.75
0A9methyl L-phenylalaninateA1AY20.74
0A9methyl L-phenylalaninateI5ER10.74
0A9methyl L-phenylalaninateI,P1HDT0.74
DPND-PHENYLALANINEP1MCS0.78
DPND-PHENYLALANINEA1GOE0.78
DPND-PHENYLALANINEA2RM90.78
DPND-PHENYLALANINEA1SOC0.78
DPND-PHENYLALANINEB,C,E,F1SFQ0.78
DPND-PHENYLALANINEI1ABJ0.78
DPND-PHENYLALANINEP1DWE0.78
DPND-PHENYLALANINEI,M1HLT0.78
DPND-PHENYLALANINEA,H,L1J9C0.78
DPND-PHENYLALANINEI,T1TMB0.78
DPND-PHENYLALANINEA2JRY0.78
DPND-PHENYLALANINEA2SOC0.78
DPND-PHENYLALANINEA2YYF0.78
DPND-PHENYLALANINEI2HGT0.78
DPND-PHENYLALANINEA,D2Q3I0.78
DPND-PHENYLALANINEA,P1MCD0.78
DPND-PHENYLALANINEP1HAO0.78
DPND-PHENYLALANINEA,B,I1Z8J0.78
DPND-PHENYLALANINEA,B,C2PGQ0.78
DPND-PHENYLALANINEC,D,H,I,L,M,
X,Y
1DVA0.78
DPND-PHENYLALANINEP1NRR0.78
DPND-PHENYLALANINEI1PPB0.78
DPND-PHENYLALANINEC,D,G,H1NU70.78
DPND-PHENYLALANINEI2HPP0.78
DPND-PHENYLALANINEB,C2OD30.78
DPND-PHENYLALANINEA1B0Q0.78
DPND-PHENYLALANINEB,C,E,F1NU90.78
DPND-PHENYLALANINEA,B,I1Z8I0.78
DPND-PHENYLALANINEH,I,J1TMU0.78
DPND-PHENYLALANINEA,B,C,D,E,F2DNS0.78
DPND-PHENYLALANINEA1GO90.78
DPND-PHENYLALANINEB,C,E,F1A0H0.78
DPND-PHENYLALANINEP1MCF0.78
DPND-PHENYLALANINEA2RME0.78
DPND-PHENYLALANINEH,I1TMT0.78
DPND-PHENYLALANINEI1ABI0.78
DPND-PHENYLALANINER1NRQ0.78
DPND-PHENYLALANINEB,C,F,G2A1D0.78
DPND-PHENYLALANINEA,B2Q330.78
DPND-PHENYLALANINEC,H,L1DAN0.78
DPND-PHENYLALANINEP1MCE0.78
DPND-PHENYLALANINEB,C,E,F2A450.78
DPND-PHENYLALANINEA2RMI0.78
DPND-PHENYLALANINEA,B,I1TQ70.78
DPND-PHENYLALANINEA1W7M0.78
DPND-PHENYLALANINEP1HAP0.78
DPND-PHENYLALANINEA,B1ORF0.78
DPND-PHENYLALANINEI1IHS0.78
DPND-PHENYLALANINEP1MCC0.78
DPND-PHENYLALANINEA2RMD0.78
DPND-PHENYLALANINEA2JQB0.78
DPND-PHENYLALANINEI2HPQ0.78
DPND-PHENYLALANINEC,E,F1SHH0.78
DPND-PHENYLALANINEA,I1CVR0.78
DPND-PHENYLALANINEL,P1AUT0.78
DPND-PHENYLALANINEP1MCI0.78
DPND-PHENYLALANINEH,I3F6U0.78
DPND-PHENYLALANINEA1BFW0.78
DPND-PHENYLALANINEH,I1HAI0.78
DPND-PHENYLALANINEB,C2THF0.78
DPND-PHENYLALANINEI1IHT0.78
DPND-PHENYLALANINEA,P1MCJ0.78
DPND-PHENYLALANINEA1TKH0.78
DPND-PHENYLALANINEC,H,L,T2FIR0.78
DPND-PHENYLALANINEA2FMZ0.78
DPND-PHENYLALANINEA1YL90.78
DPND-PHENYLALANINEI1HUT0.78
DPND-PHENYLALANINEI1FXY0.78
DPND-PHENYLALANINEA1YL80.78
DPND-PHENYLALANINEC,H,L1QFK0.78
DPND-PHENYLALANINEP1MCB0.78
NDFN-(CARBOXYCARBONYL)-D-PHENYLALANINEA1YCI0.71
TP2N-[TOSYL-D-PROLINYL]AMINO-ETHANETHIOLA,B1F4D0.73
TP2N-[TOSYL-D-PROLINYL]AMINO-ETHANETHIOLA,B1F4C0.73
HS4N-oxo-2-[(4-phenylphenyl)sulfonylamino]ethanamideA3F170.71
BIF(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACIDG,M,P,S1YYL0.74
BIF(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACIDG,M,P,S2I5Y0.74
PHIIODO-PHENYLALANINEA1TF90.76
PHIIODO-PHENYLALANINEA,B,C,D1ORW0.76
PHIIODO-PHENYLALANINEA1T6H0.76
PHIIODO-PHENYLALANINEA,B,C1NLU0.76
PHIIODO-PHENYLALANINEA,I1GA10.76
PHIIODO-PHENYLALANINEA,I1GA40.76
PHIIODO-PHENYLALANINEP1CZI0.76
ALNNAPHTHALEN-2-YL-3-ALANINEA,B,I,J2FIV0.7
ALNNAPHTHALEN-2-YL-3-ALANINEA,B1B0H0.7
ALNNAPHTHALEN-2-YL-3-ALANINEB1FIV0.7
ALNNAPHTHALEN-2-YL-3-ALANINEA,B,I,J3FIV0.7
R1F3-{[(2,2,5,5-TETRAMETHYL-1-OXO-
4-PHENYL-2,5-DIHYDRO-1H-PYRROLIUM-
3-YL)METHYL]DISULFANYL}-D-ALANINE
A1ZUR0.71
PG9D-PHENYLGLYCINEA,B,G,H10GS0.73
PG9D-PHENYLGLYCINEA,B,C,D2B4K0.73
TST4-METHYL-2-{[4-(TOLUENE-4-SULFONYL)-
THIOMORPHOLINE-3-CARBONYL]-AMINO}-
PENTANOIC ACID
A1J4I0.79
MBSA,B1HY70.71
TP34-[[GLUTAMIC ACID]-CARBONYL]-BENZENE-
SULFONYL-D-PROLINE
A,B1F4F0.72
235(2S)-2-[3-(AMINOMETHYL)PHENYL]-
3-[(R)-HYDROXY{(1R)-2-METHYL-1-
[(PHENYLSULFONYL)AMINO]PROPYL}PHOSPHORYL]PROPANOIC ACID
A,B,C2PJ70.72
915(2R)-2-{[(4-FLUORO-3-METHYLPHENYL)SULFONYL]AMINO}-
N-HYDROXY-2-TETRAHYDRO-2H-PYRAN-
4-YLACETAMIDE
A1YQY0.76
FOG(4S,5S)-5-amino-4-hydroxy-6-phenylhexanoic acidI1EED0.7
MUWN-{(5S)-5-[{[4-(AMINOMETHYL)PHENYL]SULFONYL}(ISOBUTYL)AMINO]-
6-HYDROXYHEXYL}-NALPHA-(METHOXYCARBONYL)-
BETA-PHENYL-L-PHENYLALANINAMIDE
A,B2Q3K0.7
TCKN-[(1S)-5-amino-1-(chloroacetyl)pentyl]-
4-methylbenzenesulfonamide
A1ARC0.79
HMF2-AMINO-4-PHENYL-BUTYRIC ACIDI,J1AY60.78
HPEHOMOPHENYLALANINEA,B1B1H0.78
NBBN-BUTYL-BENZENESULFONAMIDEA,B3D730.71
NBBN-BUTYL-BENZENESULFONAMIDEA3D770.71
NBBN-BUTYL-BENZENESULFONAMIDEA,B3D780.71
NBBN-BUTYL-BENZENESULFONAMIDEA,B3CZ10.71
NBBN-BUTYL-BENZENESULFONAMIDEA3D750.71
NBBN-BUTYL-BENZENESULFONAMIDEA3D760.71
NBBN-BUTYL-BENZENESULFONAMIDEA3BJH0.71
NBBN-BUTYL-BENZENESULFONAMIDEA,B3D740.71
17A(2S)-2-[3-(AMINOMETHYL)PHENYL]-
3-[(R)-{(1R)-1-[(BIPHENYL-4-YLSULFONYL)AMINO]-
2-METHYLPROPYL}(HYDROXY)PHOSPHORYL]PROPANOIC ACID
A,B,C2PJ80.71
APD3-METHYLPHENYLALANINEA,B,C1GMY0.78
M25N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDEA,B2NMX0.72
M25N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDEA2NNS0.72
C3MN-[(2R,3S)-3-AMINO-2-HYDROXY-4-
PHENYLBUTYL]NAPHTHALENE-2-SULFONAMIDE
B,I2C8Y0.7
TFQ4-(2,2,2-TRIFLUOROETHYL)-L-PHENYLALANINEA3D6V0.74
TPX(2S,3S)-3-FORMYL-2-({[(4-METHYLPHENYL)SULFONYL]AMINO}METHYL)PENTANOIC ACIDA1QGF0.86
TPX(2S,3S)-3-FORMYL-2-({[(4-METHYLPHENYL)SULFONYL]AMINO}METHYL)PENTANOIC ACIDB1E340.86
TPX(2S,3S)-3-FORMYL-2-({[(4-METHYLPHENYL)SULFONYL]AMINO}METHYL)PENTANOIC ACIDB1E350.86
MFD(2S,3S,8S,9S)-3-AMINO-9-METHOXY-
2,6,8-TRIMETHYL-10-PHENYLDECA-4,6-
DIENOIC ACID
A1AY30.7
3CCN-[(2R)-5-(aminosulfonyl)-2,3-dihydro-
1H-inden-2-yl]-2-propylpentanamide
A2QO80.72
SMF4-SULFOMETHYL-L-PHENYLALANINED,H1O0D0.81
SMF4-SULFOMETHYL-L-PHENYLALANINED,H2FES0.81
SMF4-SULFOMETHYL-L-PHENYLALANINEH,P2ANK0.81
SMF4-SULFOMETHYL-L-PHENYLALANINED,H2FEQ0.81
SMF4-SULFOMETHYL-L-PHENYLALANINEH,P2A2X0.81
SMF4-SULFOMETHYL-L-PHENYLALANINED,H1NZQ0.81
IOYP-IODO-D-PHENYLALANINEA1XBU0.76
DNSN~6~-{[5-(DIMETHYLAMINO)-1-NAPHTHYL]SULFONYL}-
L-LYSINE
H1WZ10.71
PSA3-HYDROXY-4-AMINO-5-PHENYLPENTANOIC ACIDI1EPL0.7
PSA3-HYDROXY-4-AMINO-5-PHENYLPENTANOIC ACIDA,B,C,D2IFW0.7
PSA3-HYDROXY-4-AMINO-5-PHENYLPENTANOIC ACIDE,I1EPM0.7
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A,B,M,N1FJM0.7
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A1EVA0.7
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A1LCM0.7
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A,B,C,D,E,F,
G,H
2NYM0.7
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
C,I2IE30.7
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
C,F,X,Y2NPP0.7
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A1EVC0.7
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
C,F,G,H3DW80.7
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A,B,C,D,E,F,
G,H
2NYL0.7
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A1EVD0.7
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A1EVB0.7
BDLN-(biphenyl-4-ylsulfonyl)-D-leucineA3EHX0.93
NALBETA-(2-NAPHTHYL)-ALANINEA,B2ITK0.7
NALBETA-(2-NAPHTHYL)-ALANINEH,I4THN0.7
NALBETA-(2-NAPHTHYL)-ALANINEA,B2Q5A0.7
NALBETA-(2-NAPHTHYL)-ALANINEA1ZWU0.7
NALBETA-(2-NAPHTHYL)-ALANINEA1SKL0.7
NALBETA-(2-NAPHTHYL)-ALANINEH,I5GDS0.7
NALBETA-(2-NAPHTHYL)-ALANINEA1ZH00.7
NALBETA-(2-NAPHTHYL)-ALANINEA,B2JT90.7
CXAPHENYLALANINE-N-SULFONAMIDEA1IY70.81
BSI2-(BIPHENYL-4-SULFONYL)-1,2,3,4-
TETRAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID
A1BZS0.71
BSI2-(BIPHENYL-4-SULFONYL)-1,2,3,4-
TETRAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID
A1I760.71
MEAN-METHYLPHENYLALANINEA2PIL0.75
MEAN-METHYLPHENYLALANINEA,B,C,D1H0I0.75
MEAN-METHYLPHENYLALANINEA,B,I1DOJ0.75
M283-[4-(AMINOSULFONYL)PHENYL]PROPANOIC ACIDA,B2NN10.82
M283-[4-(AMINOSULFONYL)PHENYL]PROPANOIC ACIDA2NNO0.82
4BF4-BROMO-L-PHENYLALANINEA2AG60.72
SEBO-BENZYLSULFONYL-SERINEA,B,C,D2APJ0.8
SEBO-BENZYLSULFONYL-SERINEA1IAV0.8
SEBO-BENZYLSULFONYL-SERINEA,B1IEC0.8
SEBO-BENZYLSULFONYL-SERINEA1ZIY0.8
SEBO-BENZYLSULFONYL-SERINEA1C9N0.8
SEBO-BENZYLSULFONYL-SERINEA1ZJ40.8
SEBO-BENZYLSULFONYL-SERINEA1GGV0.8
SEBO-BENZYLSULFONYL-SERINEA1Q5P0.8
SEBO-BENZYLSULFONYL-SERINEA1PQA0.8
SEBO-BENZYLSULFONYL-SERINEA1ZJ50.8
SEBO-BENZYLSULFONYL-SERINEA1C9M0.8
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEA,B3B2Q0.73
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEO,P,Q,R2B4T0.73
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEO,P,Q,R2B4R0.73
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEA,B3EIU0.73
BCSBENZYLCYSTEINEA,B,G,H10GS0.77
BCSBENZYLCYSTEINEA1EH80.77
DSVN-(dibenzo[b,d]thiophen-3-ylsulfonyl)-
L-valine
A2K2G0.74
1PAPHENYLMETHYLACETIC ACID ALANINEI1BHF0.76
PM32-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)-
PROPIONIC ACID
A,L,M3FEA0.73
PM32-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)-
PROPIONIC ACID
P1CWD0.73
PM32-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)-
PROPIONIC ACID
L3FE70.73
PM32-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)-
PROPIONIC ACID
B2GV20.73
PM32-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)-
PROPIONIC ACID
B,D1CWE0.73
M29ETHYL 3-[4-(AMINOSULFONYL)PHENYL]PROPANOATEA2NNV0.77
M29ETHYL 3-[4-(AMINOSULFONYL)PHENYL]PROPANOATEA,B2NN70.77
TBLN-[(4-methoxyphenyl)sulfonyl]-D-
alanine
A3EHY0.7
IGLALPHA-AMINO-2-INDANACETIC ACIDA1BDK0.73
TI1[2(R,S)-2-SULFANYLHEPTANOYL]-PHE-
ALA
A1R1I0.71
TI1[2(R,S)-2-SULFANYLHEPTANOYL]-PHE-
ALA
A1QF10.71