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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01819186

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
HPSPHENYL DIHYDROGEN PHOSPHATEA1O4O0.73
FP22-fluorophenolA3CPO0.77
2CH2-CHLOROPHENOLA1WBO0.7
HF14-(2-HYDROXY-4-FLUOROPHENYLTHIO)-
BUTYLPHOSPHONIC ACID
A,B1C9D0.75
HE14-(2-HYDROXYPHENYLTHIO)-1-BUTENYLPHOSPHONIC ACIDA,B1C8V0.77
HE14-(2-HYDROXYPHENYLTHIO)-1-BUTENYLPHOSPHONIC ACIDA,B1C290.77
3CH3-CHLOROPHENOLA1LI30.72
3FA3-FLUOROBENZENE-1,2-DIOLA2AS40.74
HSP4-(2-HYDROXYPHENYLSULFINYL)-BUTYLPHOSPHONIC ACIDA,B1CW20.75
FFP2,6-DIFLUOROPHENOLA2INX0.75
ETY4-ethylphenolA,B,C,D2RA60.7
HTS2-MERCAPTOPHENOLA2OSM0.88
FPN4-FLUOROPHENOLA,B1XVD0.77
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E0Y0.7
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E8G0.7
2LP2-ALLYLPHENOLA1OV50.7
BML4-BROMOPHENOLA,B,E3DHH0.72
BML4-BROMOPHENOLA,B1XU30.72
BML4-BROMOPHENOLA,B1T0S0.72
IOL4-IODOPHENOLA,B1EWA0.77
CAQCATECHOLB2BUY0.77
CAQCATECHOLA1KND0.77
CAQCATECHOLB2BUQ0.77
CAQCATECHOLA,B1DLT0.77
CAQCATECHOLA1XEP0.77
CAQCATECHOLA2PUM0.77
BTTBENZENE-1,2,4,5-TETROLA,B,C,D,E,F,
G,H,I,J,K,L
1TI60.73
BTTBENZENE-1,2,4,5-TETROLM,N,O,P,Q,R,
S,T,U,V,W,X
1VLF0.73
2BR2-BROMOPHENOLA,B,C,D2A9W0.72
CRSM-CRESOLA,B,C,D1EV30.71
CRSM-CRESOLA,B,C,D,E,F2OMG0.71
CRSM-CRESOLA,B1UZ90.71
CRSM-CRESOLA,B,C,D1ZEH0.71
CRSM-CRESOLA,B,C,D,E,F1ZEI0.71
CRSM-CRESOLA,C,D,E7INS0.71
CRSM-CRESOLA,B,C,D,E,G,
I,K
1EV60.71