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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01362168

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
3AP3-AMINOPYRIDINEA1AEF0.77
2781-(1-methyl-1H-pyrrol-2-yl)methanamineX2RBV0.83
L0D2-(1H-pyrazol-3-yl)-1H-benzimidazoleA2W1D0.72
OWLN-1H-imidazol-2-yl-N'-[4-(1H-imidazol-
2-ylamino)phenyl]benzene-1,4-diamine
A,G3FSI0.72
LL13-pyridin-4-yl-1H-indazoleA3DNE0.73
TSS2-(1H-INDOL-3-YL)ETHANAMINEA,B,D,H2IUQ0.77
TSS2-(1H-INDOL-3-YL)ETHANAMINEA,B2FPB0.77
TSS2-(1H-INDOL-3-YL)ETHANAMINED,H2AGW0.77
TSS2-(1H-INDOL-3-YL)ETHANAMINEA2PQL0.77
RBUA,B1BEX0.72
4602-[5-(6-METHYLPYRIDIN-2-YL)-2,3-
DIHYDRO-1H-PYRAZOL-4-YL]-1,5-NAPHTHYRIDINE
A1VJY0.71
LIG3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-
.C.]PYRAZOLE
P1JVP0.72
PY14-(3-PYRIDIN-2-YL-1H-PYRAZOL-4-
YL)QUINOLINE
A1PY50.72
APY2-AMINOMETHYL-PYRIDINEA,B,I1HIV0.78
APY2-AMINOMETHYL-PYRIDINEI1IVP0.78
2862-ethenyl-1-methylpyridiniumX2RC20.74
2755-amino-1,2-dimethylpyridiniumX2RBW0.76
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.73
LTNL-TRYPTOPHANAMIDEA1MAU0.7
LTNL-TRYPTOPHANAMIDEA,B2QUI0.7
5171-{2-OXO-3-[(1R)-1-(1H-PYRROL-2-
YL)ETHYL]-2H-INDOL-5-YL}UREA
A2PE10.7
L123-(2-PYRIDIN-4-YLETHYL)-1H-INDOLEA1W840.75
GG54-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-
4-YL]PYRIDINE
A3HVC0.74
D26PHENYL-5-(1H-PYRAZOL-3-YL)-1,3-
THIAZOLE
A,B,C,D2VCX0.71
4AP4-AMINOPYRIDINEA1AEG0.74
19AN,N-DIMETHYL-4-(4-PHENYL-1H-PYRAZOL-
3-YL)-1H-PYRROLE-2-CARBOXAMIDE
A2OJG0.72
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AGY0.77
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AH00.77
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AGX0.77
INDINDOLEA1L4H0.76
INDINDOLEA,B,G1O7N0.76
INDINDOLEA185L0.76
INDINDOLEA,B1EG90.76
INDINDOLEA,B1UUV0.76
INDINDOLEA,C,E2B240.76
INDINDOLEA,B,C,D,E,F2P850.76