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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01184322

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PB21-(biphenyl-4-ylmethyl)-1H-imidazoleA,B,C,D3G930.74
PB21-(biphenyl-4-ylmethyl)-1H-imidazoleA,B,C,D3G5N0.74
I19N-(4-{[(3S)-3-(dimethylamino)pyrrolidin-
1-yl]carbonyl}phenyl)-5-fluoro-
4-[2-methyl-1-(1-methylethyl)-1H-
imidazol-5-yl]pyrimidin-2-amine
A2W170.73
TMI1-[PHENYL-(4-PHENYLPHENYL)-METHYL]IMIDAZOLEA2BDM0.74
IM1B1BDQ0.77
IM1A,B1TCW0.77
IM1A1SBG0.77
IM1A,B1BDL0.77
IM1B1BDR0.77
IM1A1TCX0.77
IH4N-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2-
PHENYLETHYL)
A2BJU0.79
S146-(4-{(1S,2S)-2-AMINO-1-[(DIMETHYLAMINO)CARBONYL]-
3-[(3S)-3-FLUOROPYRROLIDIN-1-YL]-
3-OXOPROPYL}PHENYL)-1H-[1,2,4]TRIAZOLO[1,5-
A]PYRIDIN-4-IUM
A,B2FJP0.71
MIM[CYCLOHEXYLETHYL]-[[[[4-[2-METHYL-
1-IMIDAZOLYL-BUTYL]PHENYL]ACETYL]-
SERYL]-LYSINYL]-AMINE
A2NMT0.82
MIM[CYCLOHEXYLETHYL]-[[[[4-[2-METHYL-
1-IMIDAZOLYL-BUTYL]PHENYL]ACETYL]-
SERYL]-LYSINYL]-AMINE
A,B1IYK0.82
3MN3-({3-[3-(1H-IMIDAZOL-1-YL)PROPYL]-
5-METHYL-5-(1-NAPHTHYL)-2,4-DIOXOIMIDAZOLIDIN-
1-YL}METHYL)BENZONITRILE
B2F0Y0.76
T87[(1-{2[(4-CARBAMIMIDOYL-PHENYLAMINO)-
METHYL]-1-METHYL-1H-BENZOIMIDAZOL-
5-YL}-CYCLOPROPYL)-PYRIDIN-2-YL-
METHYLENEAMINOOXY]-ACETIC ACID ETHYL ESTER
B,C1G300.7
T87[(1-{2[(4-CARBAMIMIDOYL-PHENYLAMINO)-
METHYL]-1-METHYL-1H-BENZOIMIDAZOL-
5-YL}-CYCLOPROPYL)-PYRIDIN-2-YL-
METHYLENEAMINOOXY]-ACETIC ACID ETHYL ESTER
A1G2L0.7
T87[(1-{2[(4-CARBAMIMIDOYL-PHENYLAMINO)-
METHYL]-1-METHYL-1H-BENZOIMIDAZOL-
5-YL}-CYCLOPROPYL)-PYRIDIN-2-YL-
METHYLENEAMINOOXY]-ACETIC ACID ETHYL ESTER
A1OYQ0.7
FTI1-{2-[3-(4-CYANO-BENZYL)-3H-IMIDAZOL-
4-YL]-ACETYL}-5-NAPHTHALEN-1-YL-
1,2,3,6-TETRAHYDRO-PYRIDINE-4-CARBONITRILE
B1N9A0.71
1BN1-BENZYL-1H-IMIDAZOLEA,B2AFX0.72
C243-({2-[(4-CARBAMIMIDOYL-PHENYLAMINO)-
METHYL]-3-METHYL-3H-BENZOIMIDAZOLE-
5-CARBONYL}-PYRIDIN-2-YL-AMINO)-
PROPIONIC ACID ETHYL ESTER
B,C1KTS0.71