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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03775668

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
2PU1-(5-OXO-2,3,5,9B-TETRAHYDRO-1H-
PYRROLO[2,1-A]ISOINDOL-9-YL)-3-
(5-PYRROLIDIN-2-YL-1H-PYRAZOL-3-
YL)-UREA
A1GIJ0.73
5825-ETHYL-3-METHYL-1,5-DIHYDRO-4H-
PYRAZOLO[4,3-C]QUINOLIN-4-ONE
A2QHN0.85
B49N-[2-(diethylamino)ethyl]-5-[(Z)-
(5-fluoro-2-oxo-1,2-dihydro-3H-
indol-3-ylidene)methyl]-2,4-dimethyl-
1H-pyrrole-3-carboxamide
A,B3G0F0.72
B49N-[2-(diethylamino)ethyl]-5-[(Z)-
(5-fluoro-2-oxo-1,2-dihydro-3H-
indol-3-ylidene)methyl]-2,4-dimethyl-
1H-pyrrole-3-carboxamide
A3G0E0.72
IQZ(12bS)-1,2,3,4,12,12b-hexahydroindolo[2,3-
a]quinolizin-7(6H)-one
A1S1J0.73
3063-[5-(PIPERIDIN-1-YLMETHYL)-1H-
INDOL-2-YL]-6-(1H-PYRAZOL-4-YL)QUINOLIN-
2(1H)-ONE
A2HY00.72
LL13-pyridin-4-yl-1H-indazoleA3DNE0.73
D312-(4-(AMINOMETHYL)PIPERIDIN-1-YL)-
N-(3_CYCLOHEXYL-4-OXO-2,4-DIHYDROINDENO[1,2-
C]PYRAZOL-5-YL)ACETAMIDE
A2B550.83
9AD9-AMINO-(N-(2-DIMETHYLAMINO)ETHYL)ACRIDINE-
4-CARBOXAMIDE
A465D0.7
9AD9-AMINO-(N-(2-DIMETHYLAMINO)ETHYL)ACRIDINE-
4-CARBOXAMIDE
A452D0.7
LZ5N-phenyl-1H-pyrazole-3-carboxamideA2VTL0.76
D15N-(5-{[(2S)-4-amino-2-(3-chlorophenyl)butanoyl]amino}-
1H-indazol-3-yl)benzamide
A,B,C,D2VX30.72
LZ9{[(2,6-difluorophenyl)carbonyl]amino}-
N-(4-fluorophenyl)-1H-pyrazole-
3-carboxamide
A2VTP0.78
LZ8(4E)-N-(4-fluorophenyl)-4-[(phenylcarbonyl)imino]-
4H-pyrazole-3-carboxamide
A2VTO0.73
5372,6-DIHYDROANTHRA/1,9-CD/PYRAZOL-
6-ONE
A1UKI0.81
5372,6-DIHYDROANTHRA/1,9-CD/PYRAZOL-
6-ONE
A1PMV0.81
5372,6-DIHYDROANTHRA/1,9-CD/PYRAZOL-
6-ONE
A2ZMD0.81
LZ3N-(4-sulfamoylphenyl)-1H-indazole-
3-carboxamide
A2VTI0.82
LZA{[(2,6-difluorophenyl)carbonyl]amino}-
N-piperidin-4-yl-1H-pyrazole-3-
carboxamide
A2VTQ0.8
740N-[5-(1,1-DIOXIDOISOTHIAZOLIDIN-
2-YL)-1H-INDAZOL-3-YL]-2-(4-PIPERIDIN-
1-YLPHENYL)ACETAMIDE
A2R640.72
FXN5-FLUORO-1H-INDOLE-2-CARBOXYLIC ACID-
(2-MERCAPTO-ETHYL)-AMIDE
A,B1SHL0.71
TTR9-ACETYL-2,3,4,9-TETRAHYDRO-1H-
CARBAZOL-1-ONE
A2D820.7
83H8-ethyl-3,10,10-trimethyl-4,5,6,8,10,12-
hexahydropyrazolo[4',3':6,7]cyclohepta[1,2-
b]pyrrolo[2,3-f]indol-9(1H)-one
A,B3COH0.71
NOWNalpha-[(3-tert-butyl-1-methyl-
1H-pyrazol-5-yl)carbonyl]-N-[(2Z)-
2-iminoethyl]-3-methyl-L-phenylalaninamide
A,B,C,D3HHA0.76
LZE4-{[(2,6-dichlorophenyl)carbonyl]amino}-
N-piperidin-4-yl-1H-pyrazole-3-
carboxamide
A2VU30.76
DRO1-(2-{[(3S)-3-(aminomethyl)-3,4-
dihydroisoquinolin-2(1H)-yl]carbonyl}phenyl)-
4-chloro-5-methyl-N,N-diphenyl-
1H-pyrazole-3-carboxamide
A,B2W3L0.72
N5BN-(5-CYCLOPROPYL-1H-PYRAZOL-3-YL)BENZAMIDEA1VYZ0.72
LZD4-{[(2,6-difluorophenyl)carbonyl]amino}-
N-[(3S)-piperidin-3-yl]-1H-pyrazole-
3-carboxamide
A2VTT0.8
LZ11H-indazoleA,B3E6I0.71
LZ11H-indazoleA2VTA0.71
LZ74-(acetylamino)-N-(4-fluorophenyl)-
1H-pyrazole-3-carboxamide
A2VTN0.73
19AN,N-DIMETHYL-4-(4-PHENYL-1H-PYRAZOL-
3-YL)-1H-PYRROLE-2-CARBOXAMIDE
A2OJG0.72
4QC3-[6-{2'-[(DIMETHYLAMINO)METHYL]BIPHENYL-
4-YL}-7-OXO-3-(TRIFLUOROMETHYL)-
4,5,6,7-TETRAHYDRO-1H-PYRAZOLO[3,4-
C]PYRIDIN-1-YL]BENZAMIDE
A2G000.76
FRB2-CYCLOHEXYL-N-(2-{4-[5-(2,3-DICHLORO-
PHENYL)-2H-PYRAZOL-3-YL]-PIPERIDIN-
1-YL}-2-OXO-ETHYL)-2-GUANIDINO-
ACETAMIDE
A,B1PW60.72
SBC1-[4-(AMINOSULFONYL)PHENYL]-1,6-
DIHYDROPYRAZOLO[3,4-E]INDAZOLE-
3-CARBOXAMIDE
A,C,D2BKZ0.75
ZAM3-[(ACETYL-METHYL-AMINO)-METHYL]-
4-AMINO-N-METHYL-N-(1-METHYL-1H-
INDOL-2-YLMETHYL)-BENZAMIDE
A,B1LX60.72