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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00008869

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
CRSM-CRESOLA,B,C,D1EV30.74
CRSM-CRESOLA,B,C,D,E,F2OMG0.74
CRSM-CRESOLA,B1UZ90.74
CRSM-CRESOLA,B,C,D1ZEH0.74
CRSM-CRESOLA,B,C,D,E,F1ZEI0.74
CRSM-CRESOLA,C,D,E7INS0.74
CRSM-CRESOLA,B,C,D,E,G,
I,K
1EV60.74
FPN4-FLUOROPHENOLA,B1XVD0.81
CAQCATECHOLB2BUY0.8
CAQCATECHOLA1KND0.8
CAQCATECHOLB2BUQ0.8
CAQCATECHOLA,B1DLT0.8
CAQCATECHOLA1XEP0.8
CAQCATECHOLA2PUM0.8
EPLDIETHYL 4-METHOXYPHENYL PHOSPHATEA2R1N0.81
4BR2-(4-METHYLPHENOXY)ETHYLPHOSPHINATEA1PE70.7
HE14-(2-HYDROXYPHENYLTHIO)-1-BUTENYLPHOSPHONIC ACIDA,B1C8V0.75
HE14-(2-HYDROXYPHENYLTHIO)-1-BUTENYLPHOSPHONIC ACIDA,B1C290.75
INK(RP,SP)-O-(2R)-(1-PHENOXYBUT-2-
YL)-METHYLPHOSPHONIC ACID CHLORIDE
A1HQD0.74
2CH2-CHLOROPHENOLA1WBO0.73
HTS2-MERCAPTOPHENOLA2OSM0.75
4NP4-NITROPHENYL PHOSPHATEA,B1D1Q0.71
4NP4-NITROPHENYL PHOSPHATEA,B1VE70.71
4NP4-NITROPHENYL PHOSPHATEA2I6P0.71
IPHPHENOLA,B2OLD0.84
IPHPHENOLA,B,C,D2PZV0.84
IPHPHENOLA1LI20.84
IPHPHENOLA2J9N0.84
IPHPHENOLA,B,C,D2OMB0.84
IPHPHENOLA1JHX0.84
IPHPHENOLA,B,C,D2VE70.84
IPHPHENOLB,D,E,G,H,J,L1AI00.84
IPHPHENOLA,B,C,D1FOH0.84
IPHPHENOLA1V030.84
IPHPHENOLA,C,E,G,I,K5AIY0.84
IPHPHENOLB,D,F,H,J,L1AIY0.84
IPHPHENOLA,B1XU50.84
IPHPHENOLA,B,C,D,E,G,
I,K
1W8P0.84
IPHPHENOLA,C,E,G,I,K4AIY0.84
IPHPHENOLA,B,C,D,E,F,
G,H
1XDA0.84
IPHPHENOLA2AS30.84
IPHPHENOLA,B,C,D1ZEG0.84
IPHPHENOLA,B,C,D1PN00.84
IPHPHENOLA,B,C,D1XW70.84
IPHPHENOLA,C,E,G,I,K,M1QIY0.84
IPHPHENOLA,B,C,D1Q4V0.84
IPHPHENOLB1AI70.84
IPHPHENOLA1FJW0.84
IPHPHENOLB,C,D1RWE0.84
IPHPHENOLA,B,C,D,E,G,
H,I,K
1ZNJ0.84
IPHPHENOLB,C,D3GKY0.84
IPHPHENOLA1JHY0.84
IPHPHENOLA,C,E,G,I,K3AIY0.84
IPHPHENOLA,B2OMN0.84
IPHPHENOLA,C,E,G,I,K2AIY0.84
IPHPHENOLA,B,D1MPJ0.84
IPHPHENOLA,B,C,D,F,G,
H,J
1WAV0.84
IPHPHENOLB,C,D1LPH0.84
RCORESORCINOLA,B,C,E,F,G,
H,I,J,K
2OLY0.79
RCORESORCINOL1,3,A,B,C,D,
E,G,H,I,K,Q,
R,S,T,U,X,Y
2OM10.79
RCORESORCINOLA,B,C,E,G,H,
I,K
2OLZ0.79
RCORESORCINOLA,B,C,D,E,F2OMH0.79
RCORESORCINOLA,B,C,E,G,H,
I,J,K
2OMI0.79
RCORESORCINOLA,B,C,D,E,G,
I,J,K
1EVR0.79
RCORESORCINOLA,C,E,G,I,K,M1QIZ0.79
RCORESORCINOL1,3,A,B,C,D,
E,G,H,I,K,Q,
R,S,U,X,Y
2OM00.79
HF14-(2-HYDROXY-4-FLUOROPHENYLTHIO)-
BUTYLPHOSPHONIC ACID
A,B1C9D0.72
PSYphenyl ethenesulfonateA3BM80.77
PSYphenyl ethenesulfonateA3BLT0.77
FFP2,6-DIFLUOROPHENOLA2INX0.79
EPTHEPTANYL-P-PHENOLA,B1AHZ0.7
HPSPHENYL DIHYDROGEN PHOSPHATEA1O4O1
IOL4-IODOPHENOLA,B1EWA0.81
2622-FORMYLPHENYL DIHYDROGEN PHOSPHATEA1O4D0.71
2LP2-ALLYLPHENOLA1OV50.73
2682-phenoxyethanolA2RBR0.71
BTTBENZENE-1,2,4,5-TETROLA,B,C,D,E,F,
G,H,I,J,K,L
1TI60.72
BTTBENZENE-1,2,4,5-TETROLM,N,O,P,Q,R,
S,T,U,V,W,X
1VLF0.72
BML4-BROMOPHENOLA,B,E3DHH0.74
BML4-BROMOPHENOLA,B1XU30.74
BML4-BROMOPHENOLA,B1T0S0.74
FP22-fluorophenolA3CPO0.81
2BR2-BROMOPHENOLA,B,C,D2A9W0.74
3CH3-CHLOROPHENOLA1LI30.74
TH04-MERCAPTOBENZENE-1,3-DIOLA2OSF0.71
PYGBENZENE-1,2,3-TRIOLA,B,C,D,E,F,
G,H,I,J,K,L
1TI40.75
PYGBENZENE-1,2,3-TRIOLM,N,O,P,Q,R,
S,T,U,V,W,X
1VLE0.75
ETY4-ethylphenolA,B,C,D2RA60.73
3FA3-FLUOROBENZENE-1,2-DIOLA2AS40.77
BPM4-PHOSPHONOOXY-PHENYL-METHYL-[4-
PHOSPHONOOXY]BENZEN
A1AAX0.8
PCRP-CRESOLA1JHV0.74
PCRP-CRESOLA1JHU0.74
PCRP-CRESOLA,B,C,D1DIQ0.74
POT(1S)-1-(PHENOXYMETHYL)PROPYL METHYLPHOSPHONOCHLORIDOATEA2NW60.74
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E0Y0.73
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E8G0.73
GVFBENZENE-1,2,3,4-TETRAYL TETRAKIS[DIHYDROGEN (PHOSPHATE)]A2UVM0.81
HSP4-(2-HYDROXYPHENYLSULFINYL)-BUTYLPHOSPHONIC ACIDA,B1CW20.72