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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02824203

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
226naphthalene-1,2,4,5,7-pentolA,B2NZ50.74
AHT4-(2,5-DIAMINO-5-HYDROXY-PENTYL)-
PHENOL
I,T1TMB0.81
4HL4-(HYDRAZINOMETHYL)PHENOLA,B2E2U0.77
2LP2-ALLYLPHENOLA1OV50.76
AEG4-[(2R)-2-aminopropyl]phenolA3BUF0.87
2AC2-AMINO-P-CRESOLH,I1A2C0.71
2AC2-AMINO-P-CRESOLA1L4M0.71
ALEL-EPINEPHRINEA3PAH0.86
ALEL-EPINEPHRINEA2HKK0.86
8PP2-[(2E,6E,10E,14E,18E,22E,26E)-
3,7,11,15,19,23,27,31-OCTAMETHYLDOTRIACONTA-
2,6,10,14,18,22,26,30-OCTAENYL]PHENOL
A,B,C,D1Y0G0.74
2HC(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACIDA,B1V5Z0.71
142CARBIDOPAA,B1JS30.77
AEF4-(2-aminoethyl)phenolA3BRA0.87
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.75
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.75
8PS5-OCTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B370.72
5PP5-PENTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B360.72
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.74
1NP1-NAPHTHOLX2ZVQ0.75
247(3R)-3-amino-2,2-difluoro-3-(4-
hydroxyphenyl)propanoic acid
A,B2QVE0.73
2MP3,4-DIMETHYLPHENOLA1L5O0.8
AEH4-(2-aminoethyl)-2-ethylphenolA3BUG0.88
AED4-(2-aminoethyl)-2-cyclohexylphenolA3BUH0.85