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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02455104

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
BTTBENZENE-1,2,4,5-TETROLA,B,C,D,E,F,
G,H,I,J,K,L
1TI61
BTTBENZENE-1,2,4,5-TETROLM,N,O,P,Q,R,
S,T,U,V,W,X
1VLF1
PYGBENZENE-1,2,3-TRIOLA,B,C,D,E,F,
G,H,I,J,K,L
1TI40.94
PYGBENZENE-1,2,3-TRIOLM,N,O,P,Q,R,
S,T,U,V,W,X
1VLE0.94
RCORESORCINOLA,B,C,E,F,G,
H,I,J,K
2OLY0.88
RCORESORCINOL1,3,A,B,C,D,
E,G,H,I,K,Q,
R,S,T,U,X,Y
2OM10.88
RCORESORCINOLA,B,C,E,G,H,
I,K
2OLZ0.88
RCORESORCINOLA,B,C,D,E,F2OMH0.88
RCORESORCINOLA,B,C,E,G,H,
I,J,K
2OMI0.88
RCORESORCINOLA,B,C,D,E,G,
I,J,K
1EVR0.88
RCORESORCINOLA,C,E,G,I,K,M1QIZ0.88
RCORESORCINOL1,3,A,B,C,D,
E,G,H,I,K,Q,
R,S,U,X,Y
2OM00.88
CAQCATECHOLB2BUY0.87
CAQCATECHOLA1KND0.87
CAQCATECHOLB2BUQ0.87
CAQCATECHOLA,B1DLT0.87
CAQCATECHOLA1XEP0.87
CAQCATECHOLA2PUM0.87
3FA3-FLUOROBENZENE-1,2-DIOLA2AS40.84
4HM4-HYDROPEROXY-2-METHOXY-PHENOLA1HU90.83
PITPICEATANNOLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N
2JJ10.81
GVFBENZENE-1,2,3,4-TETRAYL TETRAKIS[DIHYDROGEN (PHOSPHATE)]A2UVM0.81
IPHPHENOLA,B2OLD0.8
IPHPHENOLA,B,C,D2PZV0.8
IPHPHENOLA1LI20.8
IPHPHENOLA2J9N0.8
IPHPHENOLA,B,C,D2OMB0.8
IPHPHENOLA1JHX0.8
IPHPHENOLA,B,C,D2VE70.8
IPHPHENOLB,D,E,G,H,J,L1AI00.8
IPHPHENOLA,B,C,D1FOH0.8
IPHPHENOLA1V030.8
IPHPHENOLA,C,E,G,I,K5AIY0.8
IPHPHENOLB,D,F,H,J,L1AIY0.8
IPHPHENOLA,B1XU50.8
IPHPHENOLA,B,C,D,E,G,
I,K
1W8P0.8
IPHPHENOLA,C,E,G,I,K4AIY0.8
IPHPHENOLA,B,C,D,E,F,
G,H
1XDA0.8
IPHPHENOLA2AS30.8
IPHPHENOLA,B,C,D1ZEG0.8
IPHPHENOLA,B,C,D1PN00.8
IPHPHENOLA,B,C,D1XW70.8
IPHPHENOLA,C,E,G,I,K,M1QIY0.8
IPHPHENOLA,B,C,D1Q4V0.8
IPHPHENOLB1AI70.8
IPHPHENOLA1FJW0.8
IPHPHENOLB,C,D1RWE0.8
IPHPHENOLA,B,C,D,E,G,
H,I,K
1ZNJ0.8
IPHPHENOLB,C,D3GKY0.8
IPHPHENOLA1JHY0.8
IPHPHENOLA,C,E,G,I,K3AIY0.8
IPHPHENOLA,B2OMN0.8
IPHPHENOLA,C,E,G,I,K2AIY0.8
IPHPHENOLA,B,D1MPJ0.8
IPHPHENOLA,B,C,D,F,G,
H,J
1WAV0.8
IPHPHENOLB,C,D1LPH0.8
TH04-MERCAPTOBENZENE-1,3-DIOLA2OSF0.78
FP22-fluorophenolA3CPO0.77
FPN4-FLUOROPHENOLA,B1XVD0.77
IOL4-IODOPHENOLA,B1EWA0.77
MCT4-METHYLCATECHOLA1L4G0.76
MCT4-METHYLCATECHOLA2EHZ0.76
MCT4-METHYLCATECHOLA,B1DMH0.76
226naphthalene-1,2,4,5,7-pentolA,B2NZ50.76
MBD3-METHYLCATECHOLA1KNF0.75
S24S-(2,4-dihydroxyphenyl) hydrogen thiocarbonateA2OSF0.75
FFP2,6-DIFLUOROPHENOLA2INX0.75
TTO(3,4-DIHYDROXY-PHENYL)-TRIPHENYL-
ARSONIUM
A1HYZ0.75
STLRESVERATROLA,B3CKL0.74
STLRESVERATROLA,B,C,D1U0W0.74
STLRESVERATROLA1CGZ0.74
STLRESVERATROLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N
2JIZ0.74
STLRESVERATROLA1Z1F0.74
STLRESVERATROLA1DVS0.74
STLRESVERATROLA,B1SG00.74
HTS2-MERCAPTOPHENOLA2OSM0.72
HPSPHENYL DIHYDROGEN PHOSPHATEA1O4O0.72
SN12,4-DIHYDROXY-TRANS CINNAMIC ACID11K2I0.72
PCRP-CRESOLA1JHV0.71
PCRP-CRESOLA1JHU0.71
PCRP-CRESOLA,B,C,D1DIQ0.71
3CH3-CHLOROPHENOLA1LI30.71
2BR2-BROMOPHENOLA,B,C,D2A9W0.71
BML4-BROMOPHENOLA,B,E3DHH0.71
BML4-BROMOPHENOLA,B1XU30.71
BML4-BROMOPHENOLA,B1T0S0.71
BPYBIPHENYL-2,3-DIOLA1KMY0.71
BPYBIPHENYL-2,3-DIOLB1KW80.71
BPYBIPHENYL-2,3-DIOLA2EI30.71
BPYBIPHENYL-2,3-DIOLA1EIR0.71
BPYBIPHENYL-2,3-DIOLB1KW60.71
BPYBIPHENYL-2,3-DIOLB1KWC0.71
BPYBIPHENYL-2,3-DIOLB1KW90.71
2612-ethoxyphenolX2RB10.71
DHCCAFFEIC ACIDA,B,C,D,E,F,
G,H
2O7D0.71
DHCCAFFEIC ACIDA1KOU0.71
BP71,1'-BIPHENYL-3,4-DIOLA2EI00.71
CRSM-CRESOLA,B,C,D1EV30.7
CRSM-CRESOLA,B,C,D,E,F2OMG0.7
CRSM-CRESOLA,B1UZ90.7
CRSM-CRESOLA,B,C,D1ZEH0.7
CRSM-CRESOLA,B,C,D,E,F1ZEI0.7
CRSM-CRESOLA,C,D,E7INS0.7
CRSM-CRESOLA,B,C,D,E,G,
I,K
1EV60.7