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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01872148

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
2MI2-METHYL-1H-INDOLEA2PIO0.7
4FW4-FLUOROTRYPTOPHANEA1RM90.7
0471-CYCLOHEXYL-N-{[1-(4-METHYLPHENYL)-
1H-INDOL-3-YL]METHYL}METHANAMINE
A,B2PJL0.72
251N-[amino(imino)methyl]-2-(2,5-diphenyl-
1H-pyrrol-1-yl)acetamide
A2QU20.7
2AQQUINOLIN-2-AMINEA2OHL0.75
238A2PRH0.7
2S3(2S)-2-(1H-indol-3-yl)pentanoic acidB3C6P0.71
3733-(5-{[4-(AMINOMETHYL)PIPERIDIN-
1-YL]METHYL}-1H-INDOL-2-YL)QUINOLIN-
2(1H)-ONE
A2HXQ0.73
3LP1-(CYCLOHEXYLAMINO)-3-(6-METHYL-
3,4-DIHYDRO-1H-CARBAZOL-9(2H)-YL)PROPAN-
2-OL
A,B,C,D,E,F2P6G0.72
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.73
4IN4-AMINO-L-TRYPTOPHANA,B2HXX0.73
4IN4-AMINO-L-TRYPTOPHANA1OXF0.73
1CM(2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDEA2CI00.74
23M2-(3-METHYLPHENYL)-1H-INDOLE-5-
CARBOXIMIDAMIDE
A2G5N0.7
3B3(2S)-1-AMINO-3-[(5-NITROQUINOLIN-
8-YL)AMINO]PROPAN-2-OL
A2CGV0.72
2PT1-[2-(ACRIDIN-9-YLAMINO)ETHYL]-
1,3-DIMETHYLTHIOUREA-PLATINUM(II)-
ETHANE-1,2-DIAMINE
B1XRW0.79
4PPC,L1XKA0.75
4PPA,B,C,D1XKB0.75
5IQISOQUINOLIN-5-AMINEA,B2F2T0.75
3IB3-INDOLEBUTYRIC ACIDA,B2AY60.73
3IB3-INDOLEBUTYRIC ACIDA,B,C,E2GJ60.73
2S2(2S)-2-(1H-indol-3-yl)hexanoic acidB3C6O0.7