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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02349605

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,D2Z2C0.76
168PANTOTHENYL-AMINOETHANOL-ACETATE PIVALIC ACIDA,B,C,D1OU60.73
THCN-METHYLCARBONYLTHREONINEA,B,C1A7C0.72
THCN-METHYLCARBONYLTHREONINEB2HR00.72
THCN-METHYLCARBONYLTHREONINEL,P2MPA0.72
THCN-METHYLCARBONYLTHREONINEL,P1MPA0.72
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
4GPN-(BETA-D-GLUCOPYRANOSYL)OXAMIC ACIDA2F3P0.7
OPIPANTOTHENYL-AMINOETHANOL-11-PIVALIC ACIDA,B,C,D2VU10.73
042N-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN-
2-YL]CARBONYL}-L-THREONYL-L-ISOLEUCINE
A2DC70.81
75VN-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN-
2-YL]CARBONYL}-L-ISOLEUCYL-L-ALANINE
A2DCA0.81
7GPETHYL-N-(BETA-D-GLUCOPYRANOSYL)OXAMATEA2F3S0.75
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
PAUPANTOTHENOIC ACIDA,B2F9W0.74
PAUPANTOTHENOIC ACIDA,B,C,D,E,F3BF10.74
PAUPANTOTHENOIC ACIDA,B,C,D1SQ50.74
PAUPANTOTHENOIC ACIDA,B,C,D,E,F3BEX0.74
6GPMETHYL-N-(BETA-D-GLUCOPYRANOSYL)OXAMATEA2F3Q0.74
76VN-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN-
2-YL]CARBONYL}-L-ISOLEUCYL-L-ISOLEUCINE
A2DCB0.8
59AN-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN-
2-YL]CARBONYL}-L-ISOLEUCINE
A2DC80.84
SCVN6-[(1S)-2-{[(1R)-1-CARBOXY-2-METHYLPROPYL]OXY}-
1-(MERCAPTOCARBONYL)-2-OXOETHYL]-
6-OXO-L-LYSINE
A1HB20.72
SCVN6-[(1S)-2-{[(1R)-1-CARBOXY-2-METHYLPROPYL]OXY}-
1-(MERCAPTOCARBONYL)-2-OXOETHYL]-
6-OXO-L-LYSINE
A1HB40.72
SCVN6-[(1S)-2-{[(1R)-1-CARBOXY-2-METHYLPROPYL]OXY}-
1-(MERCAPTOCARBONYL)-2-OXOETHYL]-
6-OXO-L-LYSINE
A1HB30.72
PAZN-[(2R)-2-hydroxy-3,3-dimethyl-
4-(phosphonooxy)butanoyl]-beta-
alanine
A,B,C,D,E,F3BF30.7
PT3N-PROPYL-TARTRAMIC ACIDA,B,C,D2HPA0.85