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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02547075

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
24XH,L2EC90.71
3MP3-METHYLPYRIDINEA1EUB0.73
3MP3-METHYLPYRIDINEA1BM60.73
4PPC,L1XKA0.81
4PPA,B,C,D1XKB0.81
6PCPYRIDINE-2-CARBOXYLIC ACIDA2OLN0.73
6PCPYRIDINE-2-CARBOXYLIC ACIDA2OLO0.73
2S3(2S)-2-(1H-indol-3-yl)pentanoic acidB3C6P0.75
1CM(2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDEA2CI00.79
4FW4-FLUOROTRYPTOPHANEA1RM90.73
11P[(7R)-6,7-dihydro-5H-cyclopenta[c]pyridin-
7-yl(hydroxy)methylene]bis(phosphonic acid)
A2RAH0.77
3IO3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACIDA,B,C,D1XES0.74
3IO3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACIDB,C,D1XET0.74
2S2(2S)-2-(1H-indol-3-yl)hexanoic acidB3C6O0.74
14C2-(2-chloropyridin-4-yl)-4-methyl-
1H-isoindole-1,3(2H)-dione
A3C060.71
14C2-(2-chloropyridin-4-yl)-4-methyl-
1H-isoindole-1,3(2H)-dione
A3C0A0.71
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.73
1SQISOQUINOLIN-1-AMINEA2OHK0.73
4IN4-AMINO-L-TRYPTOPHANA,B2HXX0.73
4IN4-AMINO-L-TRYPTOPHANA1OXF0.73
3IL3-(INDOL-3-YL) LACTATEA2A7P0.72
3IB3-INDOLEBUTYRIC ACIDA,B2AY60.78
3IB3-INDOLEBUTYRIC ACIDA,B,C,E2GJ60.78
7933-{[(1R)-1-phenylethyl]amino}-4-
(pyridin-4-ylamino)cyclobut-3-ene-
1,2-dione
A3FPM0.71
9AC9-ACRIDINECARBONYLA,B,G,J,K,L,M1G3X0.7
5IQISOQUINOLIN-5-AMINEA,B2F2T0.75
3643-BIPHENYL-3-YL-1-(2-HYDROXY-2,2-
DIPHOSPHONOETHYL)PYRIDINIUM
A,B2E940.74