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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02293168

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
THCN-METHYLCARBONYLTHREONINEA,B,C1A7C0.72
THCN-METHYLCARBONYLTHREONINEB2HR00.72
THCN-METHYLCARBONYLTHREONINEL,P2MPA0.72
THCN-METHYLCARBONYLTHREONINEL,P1MPA0.72
59AN-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN-
2-YL]CARBONYL}-L-ISOLEUCINE
A2DC80.76
BHDBETA-HYDROXYASPARTIC ACIDA1WHE0.72
BHDBETA-HYDROXYASPARTIC ACIDA2DDE0.72
BHDBETA-HYDROXYASPARTIC ACIDC,L1XKA0.72
BHDBETA-HYDROXYASPARTIC ACIDA1ERM0.72
BHDBETA-HYDROXYASPARTIC ACIDL,P1AUT0.72
BHDBETA-HYDROXYASPARTIC ACIDA1WHF0.72
BHDBETA-HYDROXYASPARTIC ACIDL1PFX0.72
BHDBETA-HYDROXYASPARTIC ACIDA,B,C,D1XKB0.72
76VN-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN-
2-YL]CARBONYL}-L-ISOLEUCYL-L-ISOLEUCINE
A2DCB0.72
042N-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN-
2-YL]CARBONYL}-L-THREONYL-L-ISOLEUCINE
A2DC70.73
GDL2-ACETAMIDO-2-DEOXY-D-GLUCONO-1,5-
LACTONE
A,B1UR90.71
GDL2-ACETAMIDO-2-DEOXY-D-GLUCONO-1,5-
LACTONE
A,B,C,D,E,F1O7A0.71
GDL2-ACETAMIDO-2-DEOXY-D-GLUCONO-1,5-
LACTONE
A,B1UR80.71
DZEmethyl (3S)-3-[(tert-butoxycarbonyl)amino]-
4-oxopentanoate
A,B,C,D3GJR0.71
75VN-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN-
2-YL]CARBONYL}-L-ISOLEUCYL-L-ALANINE
A2DCA0.74
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,D2Z2C0.75
ASLASPARTIC ACID-4-CARBOXYETHYL ESTERA,B2NO50.72
PAUPANTOTHENOIC ACIDA,B2F9W0.7
PAUPANTOTHENOIC ACIDA,B,C,D,E,F3BF10.7
PAUPANTOTHENOIC ACIDA,B,C,D1SQ50.7
PAUPANTOTHENOIC ACIDA,B,C,D,E,F3BEX0.7
PT3N-PROPYL-TARTRAMIC ACIDA,B,C,D2HPA0.73
E6CN-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
2-METHYL-BUTANE
A1PPP0.7
E6CN-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
2-METHYL-BUTANE
A1PE60.7
E6CN-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
2-METHYL-BUTANE
A1ITO0.7