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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02582864

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
2S3(2S)-2-(1H-indol-3-yl)pentanoic acidB3C6P0.7
3MP3-METHYLPYRIDINEA1EUB0.74
3MP3-METHYLPYRIDINEA1BM60.74
11P[(7R)-6,7-dihydro-5H-cyclopenta[c]pyridin-
7-yl(hydroxy)methylene]bis(phosphonic acid)
A2RAH0.7
2755-amino-1,2-dimethylpyridiniumX2RBW0.75
2862-ethenyl-1-methylpyridiniumX2RC20.81
APY2-AMINOMETHYL-PYRIDINEA,B,I1HIV0.78
APY2-AMINOMETHYL-PYRIDINEI1IVP0.78
3IO3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACIDA,B,C,D1XES0.71
3IO3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACIDB,C,D1XET0.71
1CM(2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDEA2CI00.73
4PPC,L1XKA0.72
4PPA,B,C,D1XKB0.72
4FW4-FLUOROTRYPTOPHANEA1RM90.71
5IQISOQUINOLIN-5-AMINEA,B2F2T0.7
3AP3-AMINOPYRIDINEA1AEF0.71
4AP4-AMINOPYRIDINEA1AEG0.7
AUP2-(2-PHENYL-3-PYRIDIN-2-YL-4,5,6,7-
TETRAHYDRO-2H-ISOPHOSPHINDOL-1-
YL)PYRIDINE
A2AAQ0.71
6PCPYRIDINE-2-CARBOXYLIC ACIDA2OLN0.8
6PCPYRIDINE-2-CARBOXYLIC ACIDA2OLO0.8
4IN4-AMINO-L-TRYPTOPHANA,B2HXX0.7
4IN4-AMINO-L-TRYPTOPHANA1OXF0.7
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D2RFQ0.73
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D,E,F2GA40.73
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D,E,F1R4P0.73
2S2(2S)-2-(1H-indol-3-yl)hexanoic acidB3C6O0.7
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.72
3IB3-INDOLEBUTYRIC ACIDA,B2AY60.75
3IB3-INDOLEBUTYRIC ACIDA,B,C,E2GJ60.75