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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00485415

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
UDC(2S,3S)-2-((2S,3R,4S,5R)-5-ETHANAMIDO-
3-HYDROXY-2-(HYDROXYMETHYL)TETRAHYDRO-
2H-PYRAN-4-YLOXY)-3,4-DIHYDROXY-
2-METHYLBUTANOIC ACID		A,B,C,D2Z2C0.71
76VN-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN-
2-YL]CARBONYL}-L-ISOLEUCYL-L-ISOLEUCINE		A2DCB0.78
U17METHYL N-[(2S,3R)-3-AMINO-2-HYDROXYHEPTANOYL]-
L-SERYL-L-LEUCINATE		A2GGB0.75
CLG2-AMINO-6-[2-(2-AMINOOXY-ACETYLAMINO)-
ACETYLAMINO]-HEXANOIC ACID		A,B1K090.81
MCLNZ-(1-CARBOXYETHYL)-LYSINEA,B1O5K0.71
MCLNZ-(1-CARBOXYETHYL)-LYSINEA,B3CPR0.71
MCLNZ-(1-CARBOXYETHYL)-LYSINEA,B2VC60.71
GDL2-ACETAMIDO-2-DEOXY-D-GLUCONO-1,5-
LACTONE		A,B1UR90.72
GDL2-ACETAMIDO-2-DEOXY-D-GLUCONO-1,5-
LACTONE		A,B,C,D,E,F1O7A0.72
GDL2-ACETAMIDO-2-DEOXY-D-GLUCONO-1,5-
LACTONE		A,B1UR80.72
LAE3-OXO-OCTANOIC ACID (2-OXO-TETRAHYDRO-
FURAN-3-YL)-AMIDE		A,B,C,D1L3L0.71
LAE3-OXO-OCTANOIC ACID (2-OXO-TETRAHYDRO-
FURAN-3-YL)-AMIDE		A,B2Q0O0.71
SCVN6-[(1S)-2-{[(1R)-1-CARBOXY-2-METHYLPROPYL]OXY}-
1-(MERCAPTOCARBONYL)-2-OXOETHYL]-
6-OXO-L-LYSINE		A1HB20.8
SCVN6-[(1S)-2-{[(1R)-1-CARBOXY-2-METHYLPROPYL]OXY}-
1-(MERCAPTOCARBONYL)-2-OXOETHYL]-
6-OXO-L-LYSINE		A1HB40.8
SCVN6-[(1S)-2-{[(1R)-1-CARBOXY-2-METHYLPROPYL]OXY}-
1-(MERCAPTOCARBONYL)-2-OXOETHYL]-
6-OXO-L-LYSINE		A1HB30.8
M11N^6^-[(1R,2S)-1-({[(1R)-1-carboxy-
2-methylpropyl]oxy}carbonyl)-2-
sulfanylpropyl]-6-oxo-L-lysine		A2VE10.81
M11N^6^-[(1R,2S)-1-({[(1R)-1-carboxy-
2-methylpropyl]oxy}carbonyl)-2-
sulfanylpropyl]-6-oxo-L-lysine		A2VCM0.81
REZ(2R)-2-AMINO-7-{[(1R)-1-CARBOXYETHYL]AMINO}-
7-OXOHEPTANOIC ACID		A,B2J9P0.73
REZ(2R)-2-AMINO-7-{[(1R)-1-CARBOXYETHYL]AMINO}-
7-OXOHEPTANOIC ACID		A,B,C,D2VGK0.73
CLH2-AMINO-6-[2-(2-OXO-ACETYLAMINO)-
ACETYLAMINO]-HEXANOIC ACID		A,B1K090.77
RO4[[1-[N-HYDROXY-ACETAMIDYL]-3-METHYL-
BUTYL]-CARBONYL-LEUCINYL]-ALANINE ETHYL ESTER		A2TCL0.74
OCVN6-[(1R)-2-{[(1R)-1-CARBOXY-2-METHYLPROPYL]OXY}-
1-(MERCAPTOMETHYL)-2-OXOETHYL]-
6-OXO-D-LYSINE		A1HB10.81
ATIN-(3-AMINO-2-HYDROXY-5-METHYLHEXANOYL)VALYLVALYLASPARTIC ACIDA1Y0Y0.73
DLSDI-ACETYL-LYSINEA,B,C,D,E,F1FVM0.76
KGCN~6~-[(2R)-2-CARBOXY-5-OXOTETRAHYDROFURAN-
2-YL]-L-LYSINE		A,B2OJP0.72
KGCN~6~-[(2R)-2-CARBOXY-5-OXOTETRAHYDROFURAN-
2-YL]-L-LYSINE		A,B3DEN0.72
KGCN~6~-[(2R)-2-CARBOXY-5-OXOTETRAHYDROFURAN-
2-YL]-L-LYSINE		A,B2PUR0.72
V20N6^-[(1R)-2-[(1S)-1-CARBOXY-2-(METHYLSULFANYL)ETHOXY]-
2-OXO-1-(SULFANYLMETHYL)ETHYL]-
6-OXO-L-LYSINE		A2VAU0.8
75VN-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN-
2-YL]CARBONYL}-L-ISOLEUCYL-L-ALANINE		A2DCA0.79
E6CN-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
2-METHYL-BUTANE		A1PPP0.74
E6CN-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
2-METHYL-BUTANE		A1PE60.74
E6CN-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
2-METHYL-BUTANE		A1ITO0.74
NXDMETHYL 5-(ACETYLAMINO)-9-{[AMINO(OXO)ACETYL]AMINO}-
3,5,9-TRIDEOXY-D-GLYCERO-ALPHA-
D-GLUCO-NON-2-ULOPYRANOSIDONIC ACID		A2G5R0.73
OHNN-3-OXO-DODECANOYL-L-HOMOSERINE LACTONEE,F,G,H2UV00.7
7GPETHYL-N-(BETA-D-GLUCOPYRANOSYL)OXAMATEA2F3S0.71
IVS3-HYDROXY-6-METHYL-4-(3-METHYL-
2-(3-METHYL-2-(3-METHYL-BUTYRYLAMINO)-
BUTYRYLAMINO)-BUTYRYLAMINO)-HEPTANOIC ACID ETHYL ESTER		A,B1ME60.7
042N-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN-
2-YL]CARBONYL}-L-THREONYL-L-ISOLEUCINE		A2DC70.75
V10N^6^-[(1R)-2-[(1R)-1-carboxy-2-
(methylsulfanyl)ethoxy]-2-oxo-1-
(sulfanylmethyl)ethyl]-6-oxo-L-
lysine		A2VBD0.8
CCLN~6~-[(CYCLOPENTYLOXY)CARBONYL]-
D-LYSINE		A2Q7G0.72
ALYN(6)-ACETYLLYSINEA,B2B4D0.72
ALYN(6)-ACETYLLYSINEA,B2OD90.72
ALYN(6)-ACETYLLYSINEA,B,C,P,Q2DVR0.72
ALYN(6)-ACETYLLYSINEA,B,C,P,Q2DVS0.72
ALYN(6)-ACETYLLYSINEA,B,C,P,Q2DVQ0.72
ALYN(6)-ACETYLLYSINEA,B,C,D2OT70.72
ALYN(6)-ACETYLLYSINEA,B2B5G0.72
ALYN(6)-ACETYLLYSINEA2GIV0.72
ALYN(6)-ACETYLLYSINEB2RNY0.72
ALYN(6)-ACETYLLYSINEA1JSP0.72
ALYN(6)-ACETYLLYSINEA,B,I,L2V5W0.72
ALYN(6)-ACETYLLYSINEA,D3D4B0.72
ALYN(6)-ACETYLLYSINEA,B,C,D2OQ60.72
ALYN(6)-ACETYLLYSINEA,B2R0Y0.72
ALYN(6)-ACETYLLYSINEA3CZ70.72
ALYN(6)-ACETYLLYSINEA1JM40.72
ALYN(6)-ACETYLLYSINEA,B2H4H0.72
ALYN(6)-ACETYLLYSINEA,B2J6V0.72
ALYN(6)-ACETYLLYSINEA,B2R100.72
ALYN(6)-ACETYLLYSINEA,B1YC50.72
ALYN(6)-ACETYLLYSINEA,B,C,D2OX00.72
ALYN(6)-ACETYLLYSINEA,B2H2G0.72
ALYN(6)-ACETYLLYSINEA,D2H4F0.72
ALYN(6)-ACETYLLYSINEA2OU20.72
ALYN(6)-ACETYLLYSINEA,B1S5P0.72
ALYN(6)-ACETYLLYSINEB2RNW0.72
ALYN(6)-ACETYLLYSINEA3D350.72
ALYN(6)-ACETYLLYSINEA,B2OD20.72
ALYN(6)-ACETYLLYSINEA2ZFN0.72
ALYN(6)-ACETYLLYSINEC,D2C1J0.72
ALYN(6)-ACETYLLYSINEA,B2QQG0.72
ALYN(6)-ACETYLLYSINEB2RNX0.72
ALYN(6)-ACETYLLYSINEA,B1MA30.72
ALYN(6)-ACETYLLYSINEA,B2H2H0.72
ALYN(6)-ACETYLLYSINEA2I2Z0.72
ALYN(6)-ACETYLLYSINEA,B2OD70.72
ALYN(6)-ACETYLLYSINEP1E6I0.72
ALYN(6)-ACETYLLYSINEA,B1SZC0.72
ALYN(6)-ACETYLLYSINEA,B,C,D,I,J,
K,L		3EWF0.72
ALYN(6)-ACETYLLYSINEA,B2H2D0.72
ALYN(6)-ACETYLLYSINEA,B1Q1A0.72
ALYN(6)-ACETYLLYSINEA,B1SZD0.72
ALYN(6)-ACETYLLYSINEQ,R2E3K0.72
ALYN(6)-ACETYLLYSINEA2OZU0.72
ALYN(6)-ACETYLLYSINEA,B2QQF0.72
ALYN(6)-ACETYLLYSINEA,B,C2R0V0.72
VAZN^6^-{(1R)-2-{[(1S,2R)-1-carboxy-
2-hydroxy-2-(methylsulfanyl)ethyl]oxy}-
1-[(oxidosulfanyl)methyl]-2-oxoethyl}-
6-oxo-L-lysine		A2VBB0.74
REXGLYCYL-L-ALPHA-AMINO-EPSILON-PIMELYL-
D-ALANYL-D-ALANINE		A1IKG0.75
HTFN-(2-OXOTETRAHYDROFURAN-3-YL)OCTANAMIDEA2AVX0.71
N10O-[(HEXYLAMINO)CARBONYL]-L-SERINEA,B,C,D,E,F,
G,H		2Q0S0.7
59AN-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN-
2-YL]CARBONYL}-L-ISOLEUCINE		A2DC80.74
NSKN-SUCCINYL LYSINEA2P8B0.71
W2XN~6~-[(1R)-1-({[(1R,2R)-1-CARBOXY-
3-HYDROXY-2-METHYLPROPYL]OXY}CARBONYL)-
2-MERCAPTOPROP-2-EN-1-YL]-6-OXO-
L-LYSINE		A1W3X0.72
W2XN~6~-[(1R)-1-({[(1R,2R)-1-CARBOXY-
3-HYDROXY-2-METHYLPROPYL]OXY}CARBONYL)-
2-MERCAPTOPROP-2-EN-1-YL]-6-OXO-
L-LYSINE		A2VE10.72
W05DELTA-(L-ALPHA-AMINOADIPOYL)-L-
CYSTEINYL-D-ALANINE		A1W050.71
W05DELTA-(L-ALPHA-AMINOADIPOYL)-L-
CYSTEINYL-D-ALANINE		A1W060.71
MU2N-ACETYLMURAMYL-L-ALANYL-D-ISOGLUTAMINEA2IXV0.72
MU2N-ACETYLMURAMYL-L-ALANYL-D-ISOGLUTAMINEA2IXU0.72
VB1N^6^-[(1R)-2-{[(1S)-1-carboxypropyl]amino}-
2-oxo-1-(sulfanylmethyl)ethyl]-
6-oxo-L-lysine		A2VBP0.71
C6LN-hexanoyl-L-homoserineA3DHA0.75
C6LN-hexanoyl-L-homoserineA3DHB0.75
G285-N-ACETYL-4-AMINO-6-DIETHYLCARBOXAMIDE-
4,5-DIHYDRO-2H-PYRAN-2-CARBOXYLIC ACID		A2QWJ0.77
G285-N-ACETYL-4-AMINO-6-DIETHYLCARBOXAMIDE-
4,5-DIHYDRO-2H-PYRAN-2-CARBOXYLIC ACID		A2QWG0.77
MDZN~6~-METHYL-6-OXO-L-LYSINE - 2-
[(3-MERCAPTOBUTANOYL)OXY]-3-METHYLBUTANOIC ACID		A1W3V0.81
REYGLYCYL-L-ALPHA-AMINO-EPSILON-PIMELYL-
D-ALANINE		A1IKI0.76