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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02369340

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
258(2-chloroethoxy)benzeneX2RAY0.84
PSYphenyl ethenesulfonateA3BM80.73
PSYphenyl ethenesulfonateA3BLT0.73
FPN4-FLUOROPHENOLA,B1XVD0.81
2612-ethoxyphenolX2RB10.77
EPLDIETHYL 4-METHOXYPHENYL PHOSPHATEA2R1N0.81
MSB1-METHYLOXY-4-SULFONE-BENZENEA1EUB0.83
MSB1-METHYLOXY-4-SULFONE-BENZENEA1BM60.83
HTS2-MERCAPTOPHENOLA2OSM0.72
PCRP-CRESOLA1JHV0.71
PCRP-CRESOLA1JHU0.71
PCRP-CRESOLA,B,C,D1DIQ0.71
3CH3-CHLOROPHENOLA1LI30.71
2BR2-BROMOPHENOLA,B,C,D2A9W0.71
EUG2-METHOXY-4-VINYL-PHENOLA2QU90.72
EUG2-METHOXY-4-VINYL-PHENOLA,B1QLU0.72
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1J0.72
EUG2-METHOXY-4-VINYL-PHENOLA,B2VAO0.72
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1K0.72
EUG2-METHOXY-4-VINYL-PHENOLA,B1DZN0.72
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1L0.72
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1M0.72
4BR2-(4-METHYLPHENOXY)ETHYLPHOSPHINATEA1PE70.74
FFP2,6-DIFLUOROPHENOLA2INX0.79
BML4-BROMOPHENOLA,B,E3DHH0.71
BML4-BROMOPHENOLA,B1XU30.71
BML4-BROMOPHENOLA,B1T0S0.71
3FA3-FLUOROBENZENE-1,2-DIOLA2AS40.76
INK(RP,SP)-O-(2R)-(1-PHENOXYBUT-2-
YL)-METHYLPHOSPHONIC ACID CHLORIDE
A1HQD0.77
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
POT(1S)-1-(PHENOXYMETHYL)PROPYL METHYLPHOSPHONOCHLORIDOATEA2NW60.77
ZHH2-(4-METHOXYPHENYL)ETHANAMINED,H2HKR0.73
FP22-fluorophenolA3CPO0.81
RCORESORCINOLA,B,C,E,F,G,
H,I,J,K
2OLY0.73
RCORESORCINOL1,3,A,B,C,D,
E,G,H,I,K,Q,
R,S,T,U,X,Y
2OM10.73
RCORESORCINOLA,B,C,E,G,H,
I,K
2OLZ0.73
RCORESORCINOLA,B,C,D,E,F2OMH0.73
RCORESORCINOLA,B,C,E,G,H,
I,J,K
2OMI0.73
RCORESORCINOLA,B,C,D,E,G,
I,J,K
1EVR0.73
RCORESORCINOLA,C,E,G,I,K,M1QIZ0.73
RCORESORCINOL1,3,A,B,C,D,
E,G,H,I,K,Q,
R,S,U,X,Y
2OM00.73
CAQCATECHOLB2BUY0.74
CAQCATECHOLA1KND0.74
CAQCATECHOLB2BUQ0.74
CAQCATECHOLA,B1DLT0.74
CAQCATECHOLA1XEP0.74
CAQCATECHOLA2PUM0.74
HPSPHENYL DIHYDROGEN PHOSPHATEA1O4O0.76
IOL4-IODOPHENOLA,B1EWA0.77
4HM4-HYDROPEROXY-2-METHOXY-PHENOLA1HU90.72
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E0Y0.73
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E8G0.73
2682-phenoxyethanolA2RBR0.83
TF52-[(2',3',4'-TRIFLUOROBIPHENYL-
2-YL)OXY]ETHANOL
A,B2OP30.71
PZM1-(4-METHOXYPHENYL)METHANAMINEA,D,H2HJB0.72
BOP1-BROMO-4-METHOXYBENZENEC,F1RHQ0.85
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
COUCOUMARINA3CRB0.7
COUCOUMARINA2PMJ0.7
COUCOUMARINA2H900.7
COUCOUMARINA,B,C,D1Z100.7
COUCOUMARINA2PWB0.7