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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00725803

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
0471-CYCLOHEXYL-N-{[1-(4-METHYLPHENYL)-
1H-INDOL-3-YL]METHYL}METHANAMINE
A,B2PJL0.7
PY14-(3-PYRIDIN-2-YL-1H-PYRAZOL-4-
YL)QUINOLINE
A1PY50.74
DZO3-(3-aminophenyl)-N-(3-chlorophenyl)pyrazolo[1,5-
a]pyrimidin-5-amine
A3E7V0.71
LIG3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-
.C.]PYRAZOLE
P1JVP0.73
GG54-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-
4-YL]PYRIDINE
A3HVC0.76
NPMN-[(1E)-PYRIDIN-2-YLMETHYLENE]-
N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE
A,B2ET00.71
LL13-pyridin-4-yl-1H-indazoleA3DNE0.74
5NI5-NITROINDAZOLEA,B1M8I0.74
5NI5-NITROINDAZOLEA,B1M9Q0.74
7I27-NITROINDAZOLE-2-CARBOXAMIDINEA,B1FOJ0.78
6NI6-NITROINDAZOLEA,B1M8H0.73
6NI6-NITROINDAZOLEA,B1M9M0.73
MTWHYDROXY(OXO)(3-{[(2Z)-4-[3-(1H-
1,2,4-TRIAZOL-1-YLMETHYL)PHENYL]PYRIMIDIN-
2(5H)-YLIDENE]AMINO}PHENYL)AMMONIUM
A,C2C5X0.72
MTWHYDROXY(OXO)(3-{[(2Z)-4-[3-(1H-
1,2,4-TRIAZOL-1-YLMETHYL)PHENYL]PYRIMIDIN-
2(5H)-YLIDENE]AMINO}PHENYL)AMMONIUM
A2C5Y0.72
2FR3-[3-(3-methyl-6-{[(1S)-1-phenylethyl]amino}-
1H-pyrazolo[4,3-c]pyridin-1-yl)phenyl]propanamide
A3DBC0.7
VC33-(4-nitrophenyl)-1H-pyrazoleA,B,C,D2VCZ0.78
SM5(1E)-5-(1-piperidin-4-yl-3-pyridin-
4-yl-1H-pyrazol-4-yl)-2,3-dihydro-
1H-inden-1-one oxime
A,B3D4Q0.78
P452-(4-CHLOROBENZYLAMINO)-4-(PHENYLAMINO)PYRAZOLO[1,5-
A][1,3,5]TRIAZINE-8-CARBONITRILE
A2PVK0.71
7NI7-NITROINDAZOLEA,B1M8E0.73
7NI7-NITROINDAZOLEA,B1FOJ0.73
7NI7-NITROINDAZOLEA,B1M9K0.73
GVG3-METHYL-4-PHENYL-1H-PYRAZOLEA2UW30.71
P442-(CYCLOHEXYLMETHYLAMINO)-4-(PHENYLAMINO)PYRAZOLO[1,5-
A][1,3,5]TRIAZINE-8-CARBONITRILE
A2PVJ0.75
3B3(2S)-1-AMINO-3-[(5-NITROQUINOLIN-
8-YL)AMINO]PROPAN-2-OL
A2CGV0.7