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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02304444

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
142CARBIDOPAA,B1JS30.75
1BA4-HYDROXY-N'-(4-ISOPROPYLBENZYL)BENZOHYDRAZIDEA2GPP0.7
AEG4-[(2R)-2-aminopropyl]phenolA3BUF0.83
2MP3,4-DIMETHYLPHENOLA1L5O0.7
AED4-(2-aminoethyl)-2-cyclohexylphenolA3BUH0.83
4HL4-(HYDRAZINOMETHYL)PHENOLA,B2E2U0.77
2AC2-AMINO-P-CRESOLH,I1A2C0.71
2AC2-AMINO-P-CRESOLA1L4M0.71
AHT4-(2,5-DIAMINO-5-HYDROXY-PENTYL)-
PHENOL
I,T1TMB0.82
1NP1-NAPHTHOLX2ZVQ0.71
226naphthalene-1,2,4,5,7-pentolA,B2NZ50.7
AEF4-(2-aminoethyl)phenolA3BRA0.81
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.75
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.75
247(3R)-3-amino-2,2-difluoro-3-(4-
hydroxyphenyl)propanoic acid
A,B2QVE0.77
3QC(4R)-4-(3-HYDROXYPHENYL)-N,N,7,8-
TETRAMETHYL-3,4-DIHYDROISOQUINOLINE-
2(1H)-CARBOXAMIDE
A,B2FME0.7
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.74
ALEL-EPINEPHRINEA3PAH0.8
ALEL-EPINEPHRINEA2HKK0.8
8PS5-OCTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B370.73
5PP5-PENTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B360.73
AEH4-(2-aminoethyl)-2-ethylphenolA3BUG0.81
296(3R)-3-amino-2,2-difluoro-3-(4-
methoxyphenyl)propanoic acid
A,B2RJS0.7