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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01771601

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
4HL4-(HYDRAZINOMETHYL)PHENOLA,B2E2U0.74
AHT4-(2,5-DIAMINO-5-HYDROXY-PENTYL)-
PHENOL
I,T1TMB0.71
P4A4-[4-(4-methoxyphenyl)-5-methyl-
1H-pyrazol-3-yl]benzene-1,3-diol
A,B2ZDX0.73
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.73
DESDIETHYLSTILBESTROLA,B3ERD0.73
DESDIETHYLSTILBESTROLA,B1TT60.73
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.73
AEH4-(2-aminoethyl)-2-ethylphenolA3BUG0.72
2AC2-AMINO-P-CRESOLH,I1A2C0.71
2AC2-AMINO-P-CRESOLA1L4M0.71
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.7
KN24-(6-HYDROXY-1H-INDAZOL-3-YL)BENZENE-
1,3-DIOL
A,B2QA60.72
AED4-(2-aminoethyl)-2-cyclohexylphenolA3BUH0.72
L473-[(5S)-1-ACETYL-3-(2-CHLOROPHENYL)-
4,5-DIHYDRO-1H-PYRAZOL-5-YL]PHENOL
A,B1YRS0.72
CZM'N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYLIDENE)-
BENZENE-1,2-DIAMINE'
A1J3F0.76
CZM'N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYLIDENE)-
BENZENE-1,2-DIAMINE'
A1UFJ0.76
CZM'N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYLIDENE)-
BENZENE-1,2-DIAMINE'
A1V9Q0.76
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.7
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQR0.7
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQS0.7
AEF4-(2-aminoethyl)phenolA3BRA0.7
AEG4-[(2R)-2-aminopropyl]phenolA3BUF0.72
55E4-(4-hydroxy-3-methylphenyl)-6-
phenylpyrimidin-2(5H)-one
A3DCV0.77