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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03219729

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
CRA1-DEOXY-1-METHOXYCARBAMIDO-BETA-
D-GLUCO-2-HEPTULOPYRANOSONAMIDE		A1FS40.71
CRA1-DEOXY-1-METHOXYCARBAMIDO-BETA-
D-GLUCO-2-HEPTULOPYRANOSONAMIDE		A1B4D0.71
NOK2-ACETAMIDO-1,2-DIDEOXYNOJIRMYCINA2VC90.72
IVS3-HYDROXY-6-METHYL-4-(3-METHYL-
2-(3-METHYL-2-(3-METHYL-BUTYRYLAMINO)-
BUTYRYLAMINO)-BUTYRYLAMINO)-HEPTANOIC ACID ETHYL ESTER		A,B1ME60.71
CR61-DEOXY-1-ACETYLAMINO-BETA-D-GLUCO-
2-HEPTULOPYRANOSONAMIDE		A1P4H0.71
CR61-DEOXY-1-ACETYLAMINO-BETA-D-GLUCO-
2-HEPTULOPYRANOSONAMIDE		A1FU80.71
H5MTRANS-3-HYDROXY-5-METHYLPROLINEA,B1A7Z0.71
NAV6,7,8,9-TETRAHYDROXY-5-METHYLCARBOXAMIDO-
4-OXONONANOIC ACID		A,C1F7B0.82
U17METHYL N-[(2S,3R)-3-AMINO-2-HYDROXYHEPTANOYL]-
L-SERYL-L-LEUCINATE		A2GGB0.74
76VN-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN-
2-YL]CARBONYL}-L-ISOLEUCYL-L-ISOLEUCINE		A2DCB0.72
CLH2-AMINO-6-[2-(2-OXO-ACETYLAMINO)-
ACETYLAMINO]-HEXANOIC ACID		A,B1K090.73
ATIN-(3-AMINO-2-HYDROXY-5-METHYLHEXANOYL)VALYLVALYLASPARTIC ACIDA1Y0Y0.72
SIAO-SIALIC ACIDA,B1DBN0.71
SIAO-SIALIC ACIDA,B,C2DQY0.71
SIAO-SIALIC ACIDA,B3H720.71
SIAO-SIALIC ACIDA1N1Y0.71
SIAO-SIALIC ACIDA,B,C,D,E,F1V0F0.71
SIAO-SIALIC ACIDA,B,C1YAH0.71
SIAO-SIALIC ACIDA1MWE0.71
SIAO-SIALIC ACIDA,B,C,D,E,F1MX10.71
SIAO-SIALIC ACIDA2JH70.71
SIAO-SIALIC ACIDA1F310.71
SIAO-SIALIC ACIDA,B,C,D,E,F1SID0.71
SIAO-SIALIC ACIDA1W0P0.71
SIAO-SIALIC ACIDA,B2EHI0.71
SIAO-SIALIC ACIDA2RDG0.71
SIAO-SIALIC ACIDA,B2WGC0.71
SIAO-SIALIC ACIDA,B,C1USX0.71
SIAO-SIALIC ACIDH1MCO0.71
SIAO-SIALIC ACIDA,B,C,D1W200.71
SIAO-SIALIC ACIDA,B,C,D1G1R0.71
SIAO-SIALIC ACIDA,B,C,D,E,F1HGG0.71
SIAO-SIALIC ACIDA1FV20.71
SIAO-SIALIC ACIDA,B,D,E,G,H1MQM0.71
SIAO-SIALIC ACIDA,B,C1QFO0.71
SIAO-SIALIC ACIDC,D,E,F,H,I,
L,M,N,Q,R,S		2W9L0.71
SIAO-SIALIC ACIDB1URL0.71
SIAO-SIALIC ACIDA,B2RFT0.71
SIAO-SIALIC ACIDB,C,I1PTO0.71
SIAO-SIALIC ACIDA2HRL0.71
SIAO-SIALIC ACIDA2R610.71
SIAO-SIALIC ACIDA2ZG30.71
SIAO-SIALIC ACIDA,B,C,E,G,I,
J,K,L		1RVX0.71
SIAO-SIALIC ACIDA,B,C,D,E3BWR0.71
SIAO-SIALIC ACIDA,B,C,D1W1X0.71
SIAO-SIALIC ACIDA,B,C,D1WW40.71
SIAO-SIALIC ACIDA,B,C,D,E1VPS0.71
SIAO-SIALIC ACIDA2V730.71
SIAO-SIALIC ACIDA,B1JSH0.71
SIAO-SIALIC ACIDA,B,C,D1W210.71
SIAO-SIALIC ACIDA,B1JSN0.71
SIAO-SIALIC ACIDA,B,C,D1OW00.71
SIAO-SIALIC ACIDA2OSX0.71
SIAO-SIALIC ACIDA,B,C,D1G1S0.71
SIAO-SIALIC ACIDA2C4L0.71
SIAO-SIALIC ACIDA2Z8L0.71
SIAO-SIALIC ACIDA2JHD0.71
SIAO-SIALIC ACIDA,C,E,H,I,J1LGC0.71
SIAO-SIALIC ACIDA1G1T0.71
SIAO-SIALIC ACIDA,C,E,F,G,I,K1RVZ0.71
SIAO-SIALIC ACIDA,B,C,D,E,F1MX50.71
SIAO-SIALIC ACID1,2,32KMB0.71
SIAO-SIALIC ACIDA,B,C,D,E,F4HMG0.71
SIAO-SIALIC ACIDA,B1NSC0.71
SIAO-SIALIC ACIDA,B,C2W680.71
SIAO-SIALIC ACIDA1SE30.71
SIAO-SIALIC ACIDA,B,C1UXA0.71
SIAO-SIALIC ACIDA2QWB0.71
SIAO-SIALIC ACIDA2VU90.71
SIAO-SIALIC ACIDH,J,L1RVT0.71
SIAO-SIALIC ACIDA,B1FV30.71
SIAO-SIALIC ACIDA,B2C250.71
SIAO-SIALIC ACIDA,B,C,D,E,F2HRQ0.71
SIAO-SIALIC ACIDD,E,F,G,H3CHB0.71
SIAO-SIALIC ACIDA,B2WBW0.71
SIAO-SIALIC ACIDA,B1USR0.71
SIAO-SIALIC ACIDA,B,E1KJ20.71
SIAO-SIALIC ACIDA,B,C2HRR0.71
SIAO-SIALIC ACIDA1QDD0.71
SIAO-SIALIC ACIDA,B,C,D,E,F1SIE0.71
SIAO-SIALIC ACIDA,B,C,D1ZAG0.71
SIAO-SIALIC ACIDD,E,F,G,H2CHB0.71
SIAO-SIALIC ACIDB1H7T0.71
SIAO-SIALIC ACIDA,B2DS00.71
SIAO-SIALIC ACIDA2ZG10.71
SIAO-SIALIC ACIDA,B,C2DR00.71
SIAO-SIALIC ACIDA,B,C1UXB0.71
SIAO-SIALIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L		1YAJ0.71
SIAO-SIALIC ACIDA,B2RFU0.71
SIAO-SIALIC ACIDA1W0O0.71
SIAO-SIALIC ACIDB,C,E,F,H,I,
K,L		3GHG0.71
SIAO-SIALIC ACIDA,B,C1YA40.71
SIAO-SIALIC ACIDA,B,D2CWG0.71
SIAO-SIALIC ACIDA,B,C2DQZ0.71
SIAO-SIALIC ACIDA,B,C,D,E,F2H7C0.71
SIAO-SIALIC ACIDA,B,C1YA80.71
SIAO-SIALIC ACIDA2C4A0.71
SIAO-SIALIC ACIDF,G,H1CT10.71
SIAO-SIALIC ACIDA1YYN0.71
SIAO-SIALIC ACIDA,B1JSO0.71
SIAO-SIALIC ACIDA,B1WGC0.71
SIAO-SIALIC ACIDA,B,C,D,E,F5HMG0.71
SIAO-SIALIC ACIDA2BF60.71
SIAO-SIALIC ACIDA,B,D,E,G,H1MQN0.71
SIAO-SIALIC ACIDA2DF30.71
SIAO-SIALIC ACIDA2BAT0.71
SIAO-SIALIC ACIDA,B,C,D,E,F2WBV0.71
SIAO-SIALIC ACIDA,B1JSI0.71
074[PROPYLAMINO-3-HYDROXY-BUTAN-1,4-
DIONYL]-ISOLEUCYL-PROLINE		A1QDQ0.74
GNA2,4-DEOXY-4-GUANIDINO-5-N-ACETYL-
NEURAMINIC ACID		A2QWE0.72
MNA2-O-METHYL-5-N-ACETYL-ALPHA-D- NEURAMINIC ACIDA2P3I0.7
MNA2-O-METHYL-5-N-ACETYL-ALPHA-D- NEURAMINIC ACIDA1KQR0.7
MNA2-O-METHYL-5-N-ACETYL-ALPHA-D- NEURAMINIC ACIDA,B,C,D,E,F1HGH0.7
MNA2-O-METHYL-5-N-ACETYL-ALPHA-D- NEURAMINIC ACIDA,B2I2S0.7
MNA2-O-METHYL-5-N-ACETYL-ALPHA-D- NEURAMINIC ACIDA2P3J0.7
MNA2-O-METHYL-5-N-ACETYL-ALPHA-D- NEURAMINIC ACIDA,B,C,D,E,F1HGE0.7
MNA2-O-METHYL-5-N-ACETYL-ALPHA-D- NEURAMINIC ACIDA2P3K0.7
F34N-[(3S,4R,5R,6R)-4,5,6-trihydroxyazepan-
3-yl]acetamide		A,B2W670.7
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA,B2ZOE0.71
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA1DFQ0.71
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA,B,C,D,E,F1V0F0.71
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA3B500.71
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA,B1V3C0.71
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA,B1FV30.71
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA,B,C,D3E810.71
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDF2JHL0.71
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA1FV20.71
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA,B1E8U0.71
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA2BER0.71
SCVN6-[(1S)-2-{[(1R)-1-CARBOXY-2-METHYLPROPYL]OXY}-
1-(MERCAPTOCARBONYL)-2-OXOETHYL]-
6-OXO-L-LYSINE		A1HB20.71
SCVN6-[(1S)-2-{[(1R)-1-CARBOXY-2-METHYLPROPYL]OXY}-
1-(MERCAPTOCARBONYL)-2-OXOETHYL]-
6-OXO-L-LYSINE		A1HB40.71
SCVN6-[(1S)-2-{[(1R)-1-CARBOXY-2-METHYLPROPYL]OXY}-
1-(MERCAPTOCARBONYL)-2-OXOETHYL]-
6-OXO-L-LYSINE		A1HB30.71
5FP5,5,5-TRIFLUORO-3-HYDROXY-4-[2-
(5,5,5-TRIFLUORO-3-HYDROXY-4-{3-
METHYL-2-[3-METHYL-2-(3-METHYL-
BUTYRYLAMINO)-BUTYRYLAMINO]-BUTYRYLAMINO}-
PENTANOYLAMINO)-PROPIONYLAMINO]-
PENTANOIC ACID		A,B1XE60.7
AMK(S)-4-AMINO-4-{(S)-1-[(S)-2-CARBAMOYL-
1-((S)-1-{(S)-[(1R,2R)-2-((S)-1-
CARBOXY-ETHYLCARBAMOYL)-CYCLOPENTYL]-
HYDROXY-METHYL}-3-METHYL-BUTYLCARBAMOYL)-
ETHYLCARBAMOYL]-2-METHYL-PROPYLCARBAMOYL}-
BUTYRIC ACID		A,B,C1YM40.7
E6CN-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
2-METHYL-BUTANE		A1PPP0.76
E6CN-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
2-METHYL-BUTANE		A1PE60.76
E6CN-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
2-METHYL-BUTANE		A1ITO0.76
NAY6,7,8,9-TETRAHYDROXY-5-METHYLCARBOXAMIDO-
2-OXONONANOIC ACID		A,C1F740.81
IHNN-(3-methylbutanoyl)-L-valyl-N-
[(1R,2R)-4-{[(1R)-2-({(1R)-1-[(1R)-
2-carboxy-1-hydroxyethyl]-3-methylbutyl}amino)-
1-methyl-2-oxoethyl]amino}-2-hydroxy-
1-(2-methylpropyl)-4-oxobutyl]-
L-valinamide		A3EMY0.72
IHNN-(3-methylbutanoyl)-L-valyl-N-
[(1R,2R)-4-{[(1R)-2-({(1R)-1-[(1R)-
2-carboxy-1-hydroxyethyl]-3-methylbutyl}amino)-
1-methyl-2-oxoethyl]amino}-2-hydroxy-
1-(2-methylpropyl)-4-oxobutyl]-
L-valinamide		A2H6T0.72
IHNN-(3-methylbutanoyl)-L-valyl-N-
[(1R,2R)-4-{[(1R)-2-({(1R)-1-[(1R)-
2-carboxy-1-hydroxyethyl]-3-methylbutyl}amino)-
1-methyl-2-oxoethyl]amino}-2-hydroxy-
1-(2-methylpropyl)-4-oxobutyl]-
L-valinamide		A,B1LS50.72
IHNN-(3-methylbutanoyl)-L-valyl-N-
[(1R,2R)-4-{[(1R)-2-({(1R)-1-[(1R)-
2-carboxy-1-hydroxyethyl]-3-methylbutyl}amino)-
1-methyl-2-oxoethyl]amino}-2-hydroxy-
1-(2-methylpropyl)-4-oxobutyl]-
L-valinamide		A,B1SME0.72
IHNN-(3-methylbutanoyl)-L-valyl-N-
[(1R,2R)-4-{[(1R)-2-({(1R)-1-[(1R)-
2-carboxy-1-hydroxyethyl]-3-methylbutyl}amino)-
1-methyl-2-oxoethyl]amino}-2-hydroxy-
1-(2-methylpropyl)-4-oxobutyl]-
L-valinamide		A,C1W6I0.72
IHNN-(3-methylbutanoyl)-L-valyl-N-
[(1R,2R)-4-{[(1R)-2-({(1R)-1-[(1R)-
2-carboxy-1-hydroxyethyl]-3-methylbutyl}amino)-
1-methyl-2-oxoethyl]amino}-2-hydroxy-
1-(2-methylpropyl)-4-oxobutyl]-
L-valinamide		A,B1XDH0.72
IHNN-(3-methylbutanoyl)-L-valyl-N-
[(1R,2R)-4-{[(1R)-2-({(1R)-1-[(1R)-
2-carboxy-1-hydroxyethyl]-3-methylbutyl}amino)-
1-methyl-2-oxoethyl]amino}-2-hydroxy-
1-(2-methylpropyl)-4-oxobutyl]-
L-valinamide		A,B2QZX0.72
IHNN-(3-methylbutanoyl)-L-valyl-N-
[(1R,2R)-4-{[(1R)-2-({(1R)-1-[(1R)-
2-carboxy-1-hydroxyethyl]-3-methylbutyl}amino)-
1-methyl-2-oxoethyl]amino}-2-hydroxy-
1-(2-methylpropyl)-4-oxobutyl]-
L-valinamide		A1IZE0.72
IHNN-(3-methylbutanoyl)-L-valyl-N-
[(1R,2R)-4-{[(1R)-2-({(1R)-1-[(1R)-
2-carboxy-1-hydroxyethyl]-3-methylbutyl}amino)-
1-methyl-2-oxoethyl]amino}-2-hydroxy-
1-(2-methylpropyl)-4-oxobutyl]-
L-valinamide		A,B1M430.72
HMN2,4,6,7,8,9-HEXAHYDROXY-5-METHYLCARBOXAMIDO NONANOIC ACIDA,B,C,D1F730.78
NXDMETHYL 5-(ACETYLAMINO)-9-{[AMINO(OXO)ACETYL]AMINO}-
3,5,9-TRIDEOXY-D-GLYCERO-ALPHA-
D-GLUCO-NON-2-ULOPYRANOSIDONIC ACID		A2G5R0.75
FSI5-(ACETYLAMINO)-2,6-ANHYDRO-3,5-
DIDEOXY-3-FLUORONONONIC ACID		A2AH20.71
FSI5-(ACETYLAMINO)-2,6-ANHYDRO-3,5-
DIDEOXY-3-FLUORONONONIC ACID		A2FHR0.71
FSI5-(ACETYLAMINO)-2,6-ANHYDRO-3,5-
DIDEOXY-3-FLUORONONONIC ACID		A2A750.71
FSI5-(ACETYLAMINO)-2,6-ANHYDRO-3,5-
DIDEOXY-3-FLUORONONONIC ACID		A,B2VK70.71
MU2N-ACETYLMURAMYL-L-ALANYL-D-ISOGLUTAMINEA2IXV0.74
MU2N-ACETYLMURAMYL-L-ALANYL-D-ISOGLUTAMINEA2IXU0.74
AMN9-DEOXY-9-AMINO-2-O-METHYL-5-N-
ACETYL-ALPHA-D-NEURAMINIC ACID		A,B,C,D,E,F1HGJ0.71
ANA4-O-ACETYL-ALPHA-2-OMETHYL-5-N-
ACETYL-ALPHA-D-NEURAMINIC ACID		A,B,C,D,E,F1HGI0.7
CLG2-AMINO-6-[2-(2-AMINOOXY-ACETYLAMINO)-
ACETYLAMINO]-HEXANOIC ACID		A,B1K090.72
2Z9N-acetyl-L-alpha-aspartyl-L-alpha-
glutamyl-N-[(1R)-2-carboxy-1-formylethyl]-
L-valinamide		A,B3H1P0.73
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,D2Z2C0.73
GDL2-ACETAMIDO-2-DEOXY-D-GLUCONO-1,5-
LACTONE		A,B1UR90.8
GDL2-ACETAMIDO-2-DEOXY-D-GLUCONO-1,5-
LACTONE		A,B,C,D,E,F1O7A0.8
GDL2-ACETAMIDO-2-DEOXY-D-GLUCONO-1,5-
LACTONE		A,B1UR80.8
NAU4,4,6,7,8,9-HEXAHYDROXY-5-METHYLCARBOXAMIDONONANOIC ACIDA,C1F7B0.76
75VN-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN-
2-YL]CARBONYL}-L-ISOLEUCYL-L-ALANINE		A2DCA0.72
042N-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN-
2-YL]CARBONYL}-L-THREONYL-L-ISOLEUCINE		A2DC70.72
NGC3,5-dideoxy-5-[(hydroxyacetyl)amino]-
D-glycero-alpha-D-galacto-non-2-
ulopyranosonic acid		A,B,C,D,E3DWP0.7
NGC3,5-dideoxy-5-[(hydroxyacetyl)amino]-
D-glycero-alpha-D-galacto-non-2-
ulopyranosonic acid		A,B,C,D,E3DWQ0.7
SUJ(2R,3R)-2-[(3S,6R)-3-AMINO-6-HYDROXY-
2-OXOPIPERIDINYL]-3-HYDROXYBUTANOIC ACID		C,D1OKX0.77
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
PCV5-AMINO-3-HYDROXY-2-(2-OXO-AZETIDIN-
1-YL)-PENTANOIC ACID		A1DRT0.72