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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
FP22-fluorophenolA3CPO0.77
MBD3-METHYLCATECHOLA1KNF0.75
MCT4-METHYLCATECHOLA1L4G0.76
MCT4-METHYLCATECHOLA2EHZ0.76
MCT4-METHYLCATECHOLA,B1DMH0.76
4HM4-HYDROPEROXY-2-METHOXY-PHENOLA1HU90.83
HTS2-MERCAPTOPHENOLA2OSM0.72
PCRP-CRESOLA1JHV0.71
PCRP-CRESOLA1JHU0.71
PCRP-CRESOLA,B,C,D1DIQ0.71
3CH3-CHLOROPHENOLA1LI30.71
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
TH04-MERCAPTOBENZENE-1,3-DIOLA2OSF0.78
2BR2-BROMOPHENOLA,B,C,D2A9W0.71
CAQCATECHOLB2BUY0.87
CAQCATECHOLA1KND0.87
CAQCATECHOLB2BUQ0.87
CAQCATECHOLA,B1DLT0.87
CAQCATECHOLA1XEP0.87
CAQCATECHOLA2PUM0.87
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
BML4-BROMOPHENOLA,B,E3DHH0.71
BML4-BROMOPHENOLA,B1XU30.71
BML4-BROMOPHENOLA,B1T0S0.71
S24S-(2,4-dihydroxyphenyl) hydrogen thiocarbonateA2OSF0.75
HPSPHENYL DIHYDROGEN PHOSPHATEA1O4O0.72
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
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
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
3FA3-FLUOROBENZENE-1,2-DIOLA2AS40.84
FFP2,6-DIFLUOROPHENOLA2INX0.75
PITPICEATANNOLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N
2JJ10.81
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
FPN4-FLUOROPHENOLA,B1XVD0.77
DHCCAFFEIC ACIDA,B,C,D,E,F,
G,H
2O7D0.71
DHCCAFFEIC ACIDA1KOU0.71
BP71,1'-BIPHENYL-3,4-DIOLA2EI00.71
TTO(3,4-DIHYDROXY-PHENYL)-TRIPHENYL-
ARSONIUM
A1HYZ0.75
IOL4-IODOPHENOLA,B1EWA0.77
GVFBENZENE-1,2,3,4-TETRAYL TETRAKIS[DIHYDROGEN (PHOSPHATE)]A2UVM0.81
SN12,4-DIHYDROXY-TRANS CINNAMIC ACID11K2I0.72
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
226naphthalene-1,2,4,5,7-pentolA,B2NZ50.76