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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01224428

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
D26PHENYL-5-(1H-PYRAZOL-3-YL)-1,3-
THIAZOLE
A,B,C,D2VCX0.75
RRR4-{[(E)-2-(5-CHLOROTHIEN-2-YL)VINYL]SULFONYL}-
1-(1H-PYRROLO[3,2-C]PYRIDIN-2-YLMETHYL)PIPERAZIN-
2-ONE
A1NFW0.74
AK21-(3-chlorophenyl)-3-{5-[2-(thieno[3,2-
d]pyrimidin-4-ylamino)ethyl]-1,3-
thiazol-2-yl}urea
A3D150.74
CK24-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)PYRIMIDIN-
2-AMINE
A,C2C5O0.71
CK24-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)PYRIMIDIN-
2-AMINE
A1PXJ0.71
TH4{(2Z)-3-[(6-chloropyridin-3-yl)methyl]-
1,3-thiazolidin-2-ylidene}cyanamide
A,B,C,D,E3C840.79
6544-(2-THIENYL)-1-(4-METHYLBENZYL)-
1H-IMIDAZOLE
A,B1I2Z0.72
EPJEPIBATIDINEA,B,C,D,E2BYQ0.71
5CH5-chloro-6'-methyl-3-[4-(methylsulfonyl)phenyl]-
2,3'-bipyridine
A3CFL0.76
ESPTHIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINEB1C5Y0.78
ESPTHIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINEA1C5U0.78
ESPTHIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINEA1C5T0.78
THZBENZOTHIAZOLEH,I,R1TBZ0.75
THZBENZOTHIAZOLEH,I,R1B5G0.75
CK14-(2,5-DICHLOROTHIEN-3-YL)PYRIMIDIN-
2-AMINE
A1PXI0.78
CK44-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)-
N-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN-
2-AMINE
A1PXL0.7
CK44-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)-
N-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN-
2-AMINE
A,C,F,H2C5V0.7
N3TA,B1TKA0.7