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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02369081

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.7
2CH2-CHLOROPHENOLA1WBO0.7
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.7
DESDIETHYLSTILBESTROLA,B3ERD0.7
DESDIETHYLSTILBESTROLA,B1TT60.7
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.7
MSB1-METHYLOXY-4-SULFONE-BENZENEA1EUB0.8
MSB1-METHYLOXY-4-SULFONE-BENZENEA1BM60.8
PCRP-CRESOLA1JHV0.76
PCRP-CRESOLA1JHU0.76
PCRP-CRESOLA,B,C,D1DIQ0.76
CRSM-CRESOLA,B,C,D1EV30.75
CRSM-CRESOLA,B,C,D,E,F2OMG0.75
CRSM-CRESOLA,B1UZ90.75
CRSM-CRESOLA,B,C,D1ZEH0.75
CRSM-CRESOLA,B,C,D,E,F1ZEI0.75
CRSM-CRESOLA,C,D,E7INS0.75
CRSM-CRESOLA,B,C,D,E,G,
I,K
1EV60.75
MCT4-METHYLCATECHOLA1L4G0.71
MCT4-METHYLCATECHOLA2EHZ0.71
MCT4-METHYLCATECHOLA,B1DMH0.71
FP22-fluorophenolA3CPO0.78
FFP2,6-DIFLUOROPHENOLA2INX0.76
PSYphenyl ethenesulfonateA3BM80.95
PSYphenyl ethenesulfonateA3BLT0.95
MBD3-METHYLCATECHOLA1KNF0.7
RCORESORCINOLA,B,C,E,F,G,
H,I,J,K
2OLY0.76
RCORESORCINOL1,3,A,B,C,D,
E,G,H,I,K,Q,
R,S,T,U,X,Y
2OM10.76
RCORESORCINOLA,B,C,E,G,H,
I,K
2OLZ0.76
RCORESORCINOLA,B,C,D,E,F2OMH0.76
RCORESORCINOLA,B,C,E,G,H,
I,J,K
2OMI0.76
RCORESORCINOLA,B,C,D,E,G,
I,J,K
1EVR0.76
RCORESORCINOLA,C,E,G,I,K,M1QIZ0.76
RCORESORCINOL1,3,A,B,C,D,
E,G,H,I,K,Q,
R,S,U,X,Y
2OM00.76
TH04-MERCAPTOBENZENE-1,3-DIOLA2OSF0.72
3CH3-CHLOROPHENOLA1LI30.72
EPLDIETHYL 4-METHOXYPHENYL PHOSPHATEA2R1N0.7
HTS2-MERCAPTOPHENOLA2OSM0.76
3FA3-FLUOROBENZENE-1,2-DIOLA2AS40.74
FPN4-FLUOROPHENOLA,B1XVD0.78
2MP3,4-DIMETHYLPHENOLA1L5O0.71
PYGBENZENE-1,2,3-TRIOLA,B,C,D,E,F,
G,H,I,J,K,L
1TI40.72
PYGBENZENE-1,2,3-TRIOLM,N,O,P,Q,R,
S,T,U,V,W,X
1VLE0.72
IPHPHENOLA,B2OLD0.81
IPHPHENOLA,B,C,D2PZV0.81
IPHPHENOLA1LI20.81
IPHPHENOLA2J9N0.81
IPHPHENOLA,B,C,D2OMB0.81
IPHPHENOLA1JHX0.81
IPHPHENOLA,B,C,D2VE70.81
IPHPHENOLB,D,E,G,H,J,L1AI00.81
IPHPHENOLA,B,C,D1FOH0.81
IPHPHENOLA1V030.81
IPHPHENOLA,C,E,G,I,K5AIY0.81
IPHPHENOLB,D,F,H,J,L1AIY0.81
IPHPHENOLA,B1XU50.81
IPHPHENOLA,B,C,D,E,G,
I,K
1W8P0.81
IPHPHENOLA,C,E,G,I,K4AIY0.81
IPHPHENOLA,B,C,D,E,F,
G,H
1XDA0.81
IPHPHENOLA2AS30.81
IPHPHENOLA,B,C,D1ZEG0.81
IPHPHENOLA,B,C,D1PN00.81
IPHPHENOLA,B,C,D1XW70.81
IPHPHENOLA,C,E,G,I,K,M1QIY0.81
IPHPHENOLA,B,C,D1Q4V0.81
IPHPHENOLB1AI70.81
IPHPHENOLA1FJW0.81
IPHPHENOLB,C,D1RWE0.81
IPHPHENOLA,B,C,D,E,G,
H,I,K
1ZNJ0.81
IPHPHENOLB,C,D3GKY0.81
IPHPHENOLA1JHY0.81
IPHPHENOLA,C,E,G,I,K3AIY0.81
IPHPHENOLA,B2OMN0.81
IPHPHENOLA,C,E,G,I,K2AIY0.81
IPHPHENOLA,B,D1MPJ0.81
IPHPHENOLA,B,C,D,F,G,
H,J
1WAV0.81
IPHPHENOLB,C,D1LPH0.81
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E0Y0.7
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E8G0.7
HSP4-(2-HYDROXYPHENYLSULFINYL)-BUTYLPHOSPHONIC ACIDA,B1CW20.7
BML4-BROMOPHENOLA,B,E3DHH0.72
BML4-BROMOPHENOLA,B1XU30.72
BML4-BROMOPHENOLA,B1T0S0.72
ETY4-ethylphenolA,B,C,D2RA60.74
CAQCATECHOLB2BUY0.77
CAQCATECHOLA1KND0.77
CAQCATECHOLB2BUQ0.77
CAQCATECHOLA,B1DLT0.77
CAQCATECHOLA1XEP0.77
CAQCATECHOLA2PUM0.77
IOL4-IODOPHENOLA,B1EWA0.78
2LP2-ALLYLPHENOLA1OV50.72
EPTHEPTANYL-P-PHENOLA,B1AHZ0.71
HPSPHENYL DIHYDROGEN PHOSPHATEA1O4O0.79
2BR2-BROMOPHENOLA,B,C,D2A9W0.72