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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02649946

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
3063-[5-(PIPERIDIN-1-YLMETHYL)-1H-
INDOL-2-YL]-6-(1H-PYRAZOL-4-YL)QUINOLIN-
2(1H)-ONE
A2HY00.7
5NI5-NITROINDAZOLEA,B1M8I0.86
5NI5-NITROINDAZOLEA,B1M9Q0.86
GVG3-METHYL-4-PHENYL-1H-PYRAZOLEA2UW30.74
FRZ5-(2-PHENYLPYRAZOLO[1,5-A]PYRIDIN-
3-YL)-1H-PYRAZOLO[3,4-C]PYRIDAZIN-
3-AMINE
A1TVO0.7
5B25-phenyl-1H-indazol-3-amineA3E630.73
PY14-(3-PYRIDIN-2-YL-1H-PYRAZOL-4-
YL)QUINOLINE
A1PY50.75
L152-[4-(3-METHYL-1H-PYRAZOL-4-YL)PHENYL]ETHANAMINEA2UW40.74
INDINDOLEA1L4H0.72
INDINDOLEA,B,G1O7N0.72
INDINDOLEA185L0.72
INDINDOLEA,B1EG90.72
INDINDOLEA,B1UUV0.72
INDINDOLEA,C,E2B240.72
INDINDOLEA,B,C,D,E,F2P850.72
4223-(5-{[4-(AMINOMETHYL)PIPERIDIN-
1-YL]METHYL}-1H-INDOL-2-YL)-1H-
INDAZOLE-6-CARBONITRILE
A2HXL0.72
TSS2-(1H-INDOL-3-YL)ETHANAMINEA,B,D,H2IUQ0.72
TSS2-(1H-INDOL-3-YL)ETHANAMINEA,B2FPB0.72
TSS2-(1H-INDOL-3-YL)ETHANAMINED,H2AGW0.72
TSS2-(1H-INDOL-3-YL)ETHANAMINEA2PQL0.72
LIG3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-
.C.]PYRAZOLE
P1JVP0.72
6NI6-NITROINDAZOLEA,B1M8H0.89
6NI6-NITROINDAZOLEA,B1M9M0.89
7NI7-NITROINDAZOLEA,B1M8E0.83
7NI7-NITROINDAZOLEA,B1FOJ0.83
7NI7-NITROINDAZOLEA,B1M9K0.83
SM5(1E)-5-(1-piperidin-4-yl-3-pyridin-
4-yl-1H-pyrazol-4-yl)-2,3-dihydro-
1H-inden-1-one oxime
A,B3D4Q0.72
LZ5N-phenyl-1H-pyrazole-3-carboxamideA2VTL0.71
SBC1-[4-(AMINOSULFONYL)PHENYL]-1,6-
DIHYDROPYRAZOLO[3,4-E]INDAZOLE-
3-CARBOXAMIDE
A,C,D2BKZ0.72
L024-[3-(4-CHLOROPHENYL)-1H-PYRAZOL-
5-YL]PIPERIDINE
B,I1WAY0.7
P442-(CYCLOHEXYLMETHYLAMINO)-4-(PHENYLAMINO)PYRAZOLO[1,5-
A][1,3,5]TRIAZINE-8-CARBONITRILE
A2PVJ0.7
LZ9{[(2,6-difluorophenyl)carbonyl]amino}-
N-(4-fluorophenyl)-1H-pyrazole-
3-carboxamide
A2VTP0.72
L123-(2-PYRIDIN-4-YLETHYL)-1H-INDOLEA1W840.72
INE3-BROMO-7-NITROINDAZOLEA,B1D0O0.73
INE3-BROMO-7-NITROINDAZOLEA,B1M9R0.73
INE3-BROMO-7-NITROINDAZOLEA,B1D0C0.73
INE3-BROMO-7-NITROINDAZOLEA,B1M9T0.73
INE3-BROMO-7-NITROINDAZOLEA,B1OM50.73
7I27-NITROINDAZOLE-2-CARBOXAMIDINEA,B1FOJ0.79
LZ8(4E)-N-(4-fluorophenyl)-4-[(phenylcarbonyl)imino]-
4H-pyrazole-3-carboxamide
A2VTO0.7
LZ11H-indazoleA,B3E6I0.81
LZ11H-indazoleA2VTA0.81
LL13-pyridin-4-yl-1H-indazoleA3DNE0.8
HYZN-[1-(3-fluorobenzyl)-1H-indazol-
5-yl]-5-[(piperidin-1-ylamino)methyl]pyrimidine-
4,6-diamine
A2RGP0.71
VC33-(4-nitrophenyl)-1H-pyrazoleA,B,C,D2VCZ0.85
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AGY0.72
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AH00.72
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AGX0.72
GG54-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-
4-YL]PYRIDINE
A3HVC0.75
QIGN-1H-indazol-5-yl-2-(6-methylpyridin-
2-yl)quinazolin-4-amine
A3GXL0.71