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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01289107

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
HTS2-MERCAPTOPHENOLA2OSM0.7
ETY4-ethylphenolA,B,C,D2RA60.71
EPLDIETHYL 4-METHOXYPHENYL PHOSPHATEA2R1N0.79
IPHPHENOLA,B2OLD0.78
IPHPHENOLA,B,C,D2PZV0.78
IPHPHENOLA1LI20.78
IPHPHENOLA2J9N0.78
IPHPHENOLA,B,C,D2OMB0.78
IPHPHENOLA1JHX0.78
IPHPHENOLA,B,C,D2VE70.78
IPHPHENOLB,D,E,G,H,J,L1AI00.78
IPHPHENOLA,B,C,D1FOH0.78
IPHPHENOLA1V030.78
IPHPHENOLA,C,E,G,I,K5AIY0.78
IPHPHENOLB,D,F,H,J,L1AIY0.78
IPHPHENOLA,B1XU50.78
IPHPHENOLA,B,C,D,E,G,
I,K
1W8P0.78
IPHPHENOLA,C,E,G,I,K4AIY0.78
IPHPHENOLA,B,C,D,E,F,
G,H
1XDA0.78
IPHPHENOLA2AS30.78
IPHPHENOLA,B,C,D1ZEG0.78
IPHPHENOLA,B,C,D1PN00.78
IPHPHENOLA,B,C,D1XW70.78
IPHPHENOLA,C,E,G,I,K,M1QIY0.78
IPHPHENOLA,B,C,D1Q4V0.78
IPHPHENOLB1AI70.78
IPHPHENOLA1FJW0.78
IPHPHENOLB,C,D1RWE0.78
IPHPHENOLA,B,C,D,E,G,
H,I,K
1ZNJ0.78
IPHPHENOLB,C,D3GKY0.78
IPHPHENOLA1JHY0.78
IPHPHENOLA,C,E,G,I,K3AIY0.78
IPHPHENOLA,B2OMN0.78
IPHPHENOLA,C,E,G,I,K2AIY0.78
IPHPHENOLA,B,D1MPJ0.78
IPHPHENOLA,B,C,D,F,G,
H,J
1WAV0.78
IPHPHENOLB,C,D1LPH0.78
GVFBENZENE-1,2,3,4-TETRAYL TETRAKIS[DIHYDROGEN (PHOSPHATE)]A2UVM0.75
CRSM-CRESOLA,B,C,D1EV30.72
CRSM-CRESOLA,B,C,D,E,F2OMG0.72
CRSM-CRESOLA,B1UZ90.72
CRSM-CRESOLA,B,C,D1ZEH0.72
CRSM-CRESOLA,B,C,D,E,F1ZEI0.72
CRSM-CRESOLA,C,D,E7INS0.72
CRSM-CRESOLA,B,C,D,E,G,
I,K
1EV60.72
BPM4-PHOSPHONOOXY-PHENYL-METHYL-[4-
PHOSPHONOOXY]BENZEN
A1AAX0.75
HE14-(2-HYDROXYPHENYLTHIO)-1-BUTENYLPHOSPHONIC ACIDA,B1C8V0.72
HE14-(2-HYDROXYPHENYLTHIO)-1-BUTENYLPHOSPHONIC ACIDA,B1C290.72
FP22-fluorophenolA3CPO0.75
4BR2-(4-METHYLPHENOXY)ETHYLPHOSPHINATEA1PE70.73
INK(RP,SP)-O-(2R)-(1-PHENOXYBUT-2-
YL)-METHYLPHOSPHONIC ACID CHLORIDE
A1HQD0.77
HPSPHENYL DIHYDROGEN PHOSPHATEA1O4O0.9
RCORESORCINOLA,B,C,E,F,G,
H,I,J,K
2OLY0.74
RCORESORCINOL1,3,A,B,C,D,
E,G,H,I,K,Q,
R,S,T,U,X,Y
2OM10.74
RCORESORCINOLA,B,C,E,G,H,
I,K
2OLZ0.74
RCORESORCINOLA,B,C,D,E,F2OMH0.74
RCORESORCINOLA,B,C,E,G,H,
I,J,K
2OMI0.74
RCORESORCINOLA,B,C,D,E,G,
I,J,K
1EVR0.74
RCORESORCINOLA,C,E,G,I,K,M1QIZ0.74
RCORESORCINOL1,3,A,B,C,D,
E,G,H,I,K,Q,
R,S,U,X,Y
2OM00.74
POT(1S)-1-(PHENOXYMETHYL)PROPYL METHYLPHOSPHONOCHLORIDOATEA2NW60.77
FFP2,6-DIFLUOROPHENOLA2INX0.73
CAQCATECHOLB2BUY0.74
CAQCATECHOLA1KND0.74
CAQCATECHOLB2BUQ0.74
CAQCATECHOLA,B1DLT0.74
CAQCATECHOLA1XEP0.74
CAQCATECHOLA2PUM0.74
IOL4-IODOPHENOLA,B1EWA0.75
3FA3-FLUOROBENZENE-1,2-DIOLA2AS40.72
FPN4-FLUOROPHENOLA,B1XVD0.75
PSYphenyl ethenesulfonateA3BM80.76
PSYphenyl ethenesulfonateA3BLT0.76
PCRP-CRESOLA1JHV0.73
PCRP-CRESOLA1JHU0.73
PCRP-CRESOLA,B,C,D1DIQ0.73