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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02649870

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
LL13-pyridin-4-yl-1H-indazoleA3DNE0.78
GVO(2S)-2-(4-CHLOROPHENYL)-2-[4-(1H-
PYRAZOL-4-YL)PHENYL]ETHANAMINE
A2UW60.74
VC33-(4-nitrophenyl)-1H-pyrazoleA,B,C,D2VCZ0.71
P452-(4-CHLOROBENZYLAMINO)-4-(PHENYLAMINO)PYRAZOLO[1,5-
A][1,3,5]TRIAZINE-8-CARBONITRILE
A2PVK0.74
5NI5-NITROINDAZOLEA,B1M8I0.73
5NI5-NITROINDAZOLEA,B1M9Q0.73
GVP4-(4-CHLOROPHENYL)-4-[4-(1H-PYRAZOL-
4-YL)PHENYL]PIPERIDINE
A2UW90.75
GVP4-(4-CHLOROPHENYL)-4-[4-(1H-PYRAZOL-
4-YL)PHENYL]PIPERIDINE
A2UW70.75
PY14-(3-PYRIDIN-2-YL-1H-PYRAZOL-4-
YL)QUINOLINE
A1PY50.72
GVG3-METHYL-4-PHENYL-1H-PYRAZOLEA2UW30.72
TSS2-(1H-INDOL-3-YL)ETHANAMINEA,B,D,H2IUQ0.7
TSS2-(1H-INDOL-3-YL)ETHANAMINEA,B2FPB0.7
TSS2-(1H-INDOL-3-YL)ETHANAMINED,H2AGW0.7
TSS2-(1H-INDOL-3-YL)ETHANAMINEA2PQL0.7
6NI6-NITROINDAZOLEA,B1M8H0.75
6NI6-NITROINDAZOLEA,B1M9M0.75
SC85-(2,3-dichlorophenyl)-N-(pyridin-
4-ylmethyl)pyrazolo[1,5-a]pyrimidin-
7-amine
A2R3F0.73
LZE4-{[(2,6-dichlorophenyl)carbonyl]amino}-
N-piperidin-4-yl-1H-pyrazole-3-
carboxamide
A2VU30.72
L152-[4-(3-METHYL-1H-PYRAZOL-4-YL)PHENYL]ETHANAMINEA2UW40.72
L123-(2-PYRIDIN-4-YLETHYL)-1H-INDOLEA1W840.7
L024-[3-(4-CHLOROPHENYL)-1H-PYRAZOL-
5-YL]PIPERIDINE
B,I1WAY0.78
GVN(2R)-2-(4-CHLOROPHENYL)-2-[4-(1H-
PYRAZOL-4-YL)PHENYL]ETHANAMINE
A2UW50.74
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AGY0.7
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AH00.7
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AGX0.7
LIG3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-
.C.]PYRAZOLE
P1JVP0.71
CLQN4-(7-CHLORO-QUINOLIN-4-YL)-N1,N1-
DIETHYL-PENTANE-1,4-DIAMINE
A1CET0.7
GG54-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-
4-YL]PYRIDINE
A3HVC0.73
DZO3-(3-aminophenyl)-N-(3-chlorophenyl)pyrazolo[1,5-
a]pyrimidin-5-amine
A3E7V0.73
5B25-phenyl-1H-indazol-3-amineA3E630.71
LZ11H-indazoleA,B3E6I0.79
LZ11H-indazoleA2VTA0.79