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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00011208

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PYGBENZENE-1,2,3-TRIOLA,B,C,D,E,F,
G,H,I,J,K,L
1TI40.71
PYGBENZENE-1,2,3-TRIOLM,N,O,P,Q,R,
S,T,U,V,W,X
1VLE0.71
BPYBIPHENYL-2,3-DIOLA1KMY0.7
BPYBIPHENYL-2,3-DIOLB1KW80.7
BPYBIPHENYL-2,3-DIOLA2EI30.7
BPYBIPHENYL-2,3-DIOLA1EIR0.7
BPYBIPHENYL-2,3-DIOLB1KW60.7
BPYBIPHENYL-2,3-DIOLB1KWC0.7
BPYBIPHENYL-2,3-DIOLB1KW90.7
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.71
FPN4-FLUOROPHENOLA,B1XVD0.76
BPM4-PHOSPHONOOXY-PHENYL-METHYL-[4-
PHOSPHONOOXY]BENZEN
A1AAX0.86
HE14-(2-HYDROXYPHENYLTHIO)-1-BUTENYLPHOSPHONIC ACIDA,B1C8V0.74
HE14-(2-HYDROXYPHENYLTHIO)-1-BUTENYLPHOSPHONIC ACIDA,B1C290.74
B4Nbis(4-nitrophenyl) hydrogen phosphateA3DH80.71
4BR2-(4-METHYLPHENOXY)ETHYLPHOSPHINATEA1PE70.7
BPZ4,4'-cyclohexane-1,1-diyldiphenolA2ZKC0.7
INK(RP,SP)-O-(2R)-(1-PHENOXYBUT-2-
YL)-METHYLPHOSPHONIC ACID CHLORIDE
A1HQD0.74
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.71
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.71
EPLDIETHYL 4-METHOXYPHENYL PHOSPHATEA2R1N0.8
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.71
HF14-(2-HYDROXY-4-FLUOROPHENYLTHIO)-
BUTYLPHOSPHONIC ACID
A,B1C9D0.72
BP71,1'-BIPHENYL-3,4-DIOLA2EI00.7
CAQCATECHOLB2BUY0.76
CAQCATECHOLA1KND0.76
CAQCATECHOLB2BUQ0.76
CAQCATECHOLA,B1DLT0.76
CAQCATECHOLA1XEP0.76
CAQCATECHOLA2PUM0.76
IOL4-IODOPHENOLA,B1EWA0.76
PSYphenyl ethenesulfonateA3BM80.77
PSYphenyl ethenesulfonateA3BLT0.77
PSNBENZYL 2-FORMYLPHENYL HYDROGEN PHOSPHATEA1O4K0.73
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL
A1YSG0.7
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.74
DESDIETHYLSTILBESTROLA,B3ERD0.74
DESDIETHYLSTILBESTROLA,B1TT60.74
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.74
GVFBENZENE-1,2,3,4-TETRAYL TETRAKIS[DIHYDROGEN (PHOSPHATE)]A2UVM0.78
EPTHEPTANYL-P-PHENOLA,B1AHZ0.7
2LP2-ALLYLPHENOLA1OV50.73
2682-phenoxyethanolA2RBR0.71
IPHPHENOLA,B2OLD0.79
IPHPHENOLA,B,C,D2PZV0.79
IPHPHENOLA1LI20.79
IPHPHENOLA2J9N0.79
IPHPHENOLA,B,C,D2OMB0.79
IPHPHENOLA1JHX0.79
IPHPHENOLA,B,C,D2VE70.79
IPHPHENOLB,D,E,G,H,J,L1AI00.79
IPHPHENOLA,B,C,D1FOH0.79
IPHPHENOLA1V030.79
IPHPHENOLA,C,E,G,I,K5AIY0.79
IPHPHENOLB,D,F,H,J,L1AIY0.79
IPHPHENOLA,B1XU50.79
IPHPHENOLA,B,C,D,E,G,
I,K
1W8P0.79
IPHPHENOLA,C,E,G,I,K4AIY0.79
IPHPHENOLA,B,C,D,E,F,
G,H
1XDA0.79
IPHPHENOLA2AS30.79
IPHPHENOLA,B,C,D1ZEG0.79
IPHPHENOLA,B,C,D1PN00.79
IPHPHENOLA,B,C,D1XW70.79
IPHPHENOLA,C,E,G,I,K,M1QIY0.79
IPHPHENOLA,B,C,D1Q4V0.79
IPHPHENOLB1AI70.79
IPHPHENOLA1FJW0.79
IPHPHENOLB,C,D1RWE0.79
IPHPHENOLA,B,C,D,E,G,
H,I,K
1ZNJ0.79
IPHPHENOLB,C,D3GKY0.79
IPHPHENOLA1JHY0.79
IPHPHENOLA,C,E,G,I,K3AIY0.79
IPHPHENOLA,B2OMN0.79
IPHPHENOLA,C,E,G,I,K2AIY0.79
IPHPHENOLA,B,D1MPJ0.79
IPHPHENOLA,B,C,D,F,G,
H,J
1WAV0.79
IPHPHENOLB,C,D1LPH0.79
PCRP-CRESOLA1JHV0.72
PCRP-CRESOLA1JHU0.72
PCRP-CRESOLA,B,C,D1DIQ0.72
HTS2-MERCAPTOPHENOLA2OSM0.71
3FA3-FLUOROBENZENE-1,2-DIOLA2AS40.73
219CYCLOHEXYLMETHYL 2-FORMYLPHENYL HYDROGEN PHOSPHATEA1O4I0.7
3CH3-CHLOROPHENOLA1LI30.7
FP22-fluorophenolA3CPO0.76
RCORESORCINOLA,B,C,E,F,G,
H,I,J,K
2OLY0.75
RCORESORCINOL1,3,A,B,C,D,
E,G,H,I,K,Q,
R,S,T,U,X,Y
2OM10.75
RCORESORCINOLA,B,C,E,G,H,
I,K
2OLZ0.75
RCORESORCINOLA,B,C,D,E,F2OMH0.75
RCORESORCINOLA,B,C,E,G,H,
I,J,K
2OMI0.75
RCORESORCINOLA,B,C,D,E,G,
I,J,K
1EVR0.75
RCORESORCINOLA,C,E,G,I,K,M1QIZ0.75
RCORESORCINOL1,3,A,B,C,D,
E,G,H,I,K,Q,
R,S,U,X,Y
2OM00.75
FFP2,6-DIFLUOROPHENOLA2INX0.74
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.7
2BR2-BROMOPHENOLA,B,C,D2A9W0.7
ETY4-ethylphenolA,B,C,D2RA60.73
STLRESVERATROLA,B3CKL0.72
STLRESVERATROLA,B,C,D1U0W0.72
STLRESVERATROLA1CGZ0.72
STLRESVERATROLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N
2JIZ0.72
STLRESVERATROLA1Z1F0.72
STLRESVERATROLA1DVS0.72
STLRESVERATROLA,B1SG00.72
POT(1S)-1-(PHENOXYMETHYL)PROPYL METHYLPHOSPHONOCHLORIDOATEA2NW60.74
BML4-BROMOPHENOLA,B,E3DHH0.7
BML4-BROMOPHENOLA,B1XU30.7
BML4-BROMOPHENOLA,B1T0S0.7
HPSPHENYL DIHYDROGEN PHOSPHATEA1O4O0.94
TTO(3,4-DIHYDROXY-PHENYL)-TRIPHENYL-
ARSONIUM
A1HYZ0.74
HSP4-(2-HYDROXYPHENYLSULFINYL)-BUTYLPHOSPHONIC ACIDA,B1CW20.72
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