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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03298807

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
3IO3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACIDA,B,C,D1XES0.7
3IO3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACIDB,C,D1XET0.7
2461-benzyl-3-(2-chloropyridin-4-yl)ureaA2QPM0.73
2781-(1-methyl-1H-pyrrol-2-yl)methanamineX2RBV0.8
3AP3-AMINOPYRIDINEA1AEF0.78
2PT1-[2-(ACRIDIN-9-YLAMINO)ETHYL]-
1,3-DIMETHYLTHIOUREA-PLATINUM(II)-
ETHANE-1,2-DIAMINE
B1XRW0.73
2755-amino-1,2-dimethylpyridiniumX2RBW0.77
39Z5-HYDROXY-3-[(1R)-1-(1H-PYRROL-
2-YL)ETHYL]-2H-INDOL-2-ONE
A2PE00.71
2AP2-AMINOPYRIDINEA1AEO0.73
2S2(2S)-2-(1H-indol-3-yl)hexanoic acidB3C6O0.71
2S3(2S)-2-(1H-indol-3-yl)pentanoic acidB3C6P0.71
2FR3-[3-(3-methyl-6-{[(1S)-1-phenylethyl]amino}-
1H-pyrazolo[4,3-c]pyridin-1-yl)phenyl]propanamide
A3DBC0.7
23M2-(3-METHYLPHENYL)-1H-INDOLE-5-
CARBOXIMIDAMIDE
A2G5N0.75
2MI2-METHYL-1H-INDOLEA2PIO0.81
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.84
1CM(2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDEA2CI00.74
1SQISOQUINOLIN-1-AMINEA2OHK0.72
2862-ethenyl-1-methylpyridiniumX2RC20.77
22M2-(2-METHYLPHENYL)-1H-INDOLE-6-
CARBOXIMIDAMIDE
A2G5V0.74
0471-CYCLOHEXYL-N-{[1-(4-METHYLPHENYL)-
1H-INDOL-3-YL]METHYL}METHANAMINE
A,B2PJL0.8
3IB3-INDOLEBUTYRIC ACIDA,B2AY60.75
3IB3-INDOLEBUTYRIC ACIDA,B,C,E2GJ60.75