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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00013607

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
HTS2-MERCAPTOPHENOLA2OSM0.7
IPHPHENOLA,B2OLD0.77
IPHPHENOLA,B,C,D2PZV0.77
IPHPHENOLA1LI20.77
IPHPHENOLA2J9N0.77
IPHPHENOLA,B,C,D2OMB0.77
IPHPHENOLA1JHX0.77
IPHPHENOLA,B,C,D2VE70.77
IPHPHENOLB,D,E,G,H,J,L1AI00.77
IPHPHENOLA,B,C,D1FOH0.77
IPHPHENOLA1V030.77
IPHPHENOLA,C,E,G,I,K5AIY0.77
IPHPHENOLB,D,F,H,J,L1AIY0.77
IPHPHENOLA,B1XU50.77
IPHPHENOLA,B,C,D,E,G,
I,K
1W8P0.77
IPHPHENOLA,C,E,G,I,K4AIY0.77
IPHPHENOLA,B,C,D,E,F,
G,H
1XDA0.77
IPHPHENOLA2AS30.77
IPHPHENOLA,B,C,D1ZEG0.77
IPHPHENOLA,B,C,D1PN00.77
IPHPHENOLA,B,C,D1XW70.77
IPHPHENOLA,C,E,G,I,K,M1QIY0.77
IPHPHENOLA,B,C,D1Q4V0.77
IPHPHENOLB1AI70.77
IPHPHENOLA1FJW0.77
IPHPHENOLB,C,D1RWE0.77
IPHPHENOLA,B,C,D,E,G,
H,I,K
1ZNJ0.77
IPHPHENOLB,C,D3GKY0.77
IPHPHENOLA1JHY0.77
IPHPHENOLA,C,E,G,I,K3AIY0.77
IPHPHENOLA,B2OMN0.77
IPHPHENOLA,C,E,G,I,K2AIY0.77
IPHPHENOLA,B,D1MPJ0.77
IPHPHENOLA,B,C,D,F,G,
H,J
1WAV0.77
IPHPHENOLB,C,D1LPH0.77
PYGBENZENE-1,2,3-TRIOLA,B,C,D,E,F,
G,H,I,J,K,L
1TI40.81
PYGBENZENE-1,2,3-TRIOLM,N,O,P,Q,R,
S,T,U,V,W,X
1VLE0.81
BOP1-BROMO-4-METHOXYBENZENEC,F1RHQ0.71
BTTBENZENE-1,2,4,5-TETROLA,B,C,D,E,F,
G,H,I,J,K,L
1TI60.76
BTTBENZENE-1,2,4,5-TETROLM,N,O,P,Q,R,
S,T,U,V,W,X
1VLF0.76
4HM4-HYDROPEROXY-2-METHOXY-PHENOLA1HU90.82
FPN4-FLUOROPHENOLA,B1XVD0.79
2682-phenoxyethanolA2RBR0.75
HV71-METHYLAMINE-2-HYDROXY-4-METHOXY-
BENZENE
C1A8G0.71
FFP2,6-DIFLUOROPHENOLA2INX0.79
2612-ethoxyphenolX2RB10.75
HFL5-(3,3-DIHYDROXYPROPENY)-3-METHOXY-
BENZENE-1,2-DIOL
C,F1KYW0.73
3FA3-FLUOROBENZENE-1,2-DIOLA2AS40.76
MSB1-METHYLOXY-4-SULFONE-BENZENEA1EUB0.71
MSB1-METHYLOXY-4-SULFONE-BENZENEA1BM60.71
TH04-MERCAPTOBENZENE-1,3-DIOLA2OSF0.77
258(2-chloroethoxy)benzeneX2RAY0.7
FP22-fluorophenolA3CPO0.79
STLRESVERATROLA,B3CKL0.73
STLRESVERATROLA,B,C,D1U0W0.73
STLRESVERATROLA1CGZ0.73
STLRESVERATROLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N
2JIZ0.73
STLRESVERATROLA1Z1F0.73
STLRESVERATROLA1DVS0.73
STLRESVERATROLA,B1SG00.73
4MU7-hydroxy-4-methyl-2H-chromen-2-
one
A,B3ETS0.72
CAQCATECHOLB2BUY0.74
CAQCATECHOLA1KND0.74
CAQCATECHOLB2BUQ0.74
CAQCATECHOLA,B1DLT0.74
CAQCATECHOLA1XEP0.74
CAQCATECHOLA2PUM0.74
RCORESORCINOLA,B,C,E,F,G,
H,I,J,K
2OLY0.85
RCORESORCINOL1,3,A,B,C,D,
E,G,H,I,K,Q,
R,S,T,U,X,Y
2OM10.85
RCORESORCINOLA,B,C,E,G,H,
I,K
2OLZ0.85
RCORESORCINOLA,B,C,D,E,F2OMH0.85
RCORESORCINOLA,B,C,E,G,H,
I,J,K
2OMI0.85
RCORESORCINOLA,B,C,D,E,G,
I,J,K
1EVR0.85
RCORESORCINOLA,C,E,G,I,K,M1QIZ0.85
RCORESORCINOL1,3,A,B,C,D,
E,G,H,I,K,Q,
R,S,U,X,Y
2OM00.85
S24S-(2,4-dihydroxyphenyl) hydrogen thiocarbonateA2OSF0.71
IOL4-IODOPHENOLA,B1EWA0.75
SXXSINAPINATEA,B1WB40.71
EUG2-METHOXY-4-VINYL-PHENOLA2QU90.71
EUG2-METHOXY-4-VINYL-PHENOLA,B1QLU0.71
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1J0.71
EUG2-METHOXY-4-VINYL-PHENOLA,B2VAO0.71
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1K0.71
EUG2-METHOXY-4-VINYL-PHENOLA,B1DZN0.71
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1L0.71
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1M0.71
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E0Y0.75
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E8G0.75