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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00256387

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
CRSM-CRESOLA,B,C,D1EV30.74
CRSM-CRESOLA,B,C,D,E,F2OMG0.74
CRSM-CRESOLA,B1UZ90.74
CRSM-CRESOLA,B,C,D1ZEH0.74
CRSM-CRESOLA,B,C,D,E,F1ZEI0.74
CRSM-CRESOLA,C,D,E7INS0.74
CRSM-CRESOLA,B,C,D,E,G,
I,K
1EV60.74
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.7
PYGBENZENE-1,2,3-TRIOLA,B,C,D,E,F,
G,H,I,J,K,L
1TI40.76
PYGBENZENE-1,2,3-TRIOLM,N,O,P,Q,R,
S,T,U,V,W,X
1VLE0.76
INK(RP,SP)-O-(2R)-(1-PHENOXYBUT-2-
YL)-METHYLPHOSPHONIC ACID CHLORIDE
A1HQD0.75
FFP2,6-DIFLUOROPHENOLA2INX0.8
HE14-(2-HYDROXYPHENYLTHIO)-1-BUTENYLPHOSPHONIC ACIDA,B1C8V0.74
HE14-(2-HYDROXYPHENYLTHIO)-1-BUTENYLPHOSPHONIC ACIDA,B1C290.74
IOL4-IODOPHENOLA,B1EWA0.82
RCORESORCINOLA,B,C,E,F,G,
H,I,J,K
2OLY0.8
RCORESORCINOL1,3,A,B,C,D,
E,G,H,I,K,Q,
R,S,T,U,X,Y
2OM10.8
RCORESORCINOLA,B,C,E,G,H,
I,K
2OLZ0.8
RCORESORCINOLA,B,C,D,E,F2OMH0.8
RCORESORCINOLA,B,C,E,G,H,
I,J,K
2OMI0.8
RCORESORCINOLA,B,C,D,E,G,
I,J,K
1EVR0.8
RCORESORCINOLA,C,E,G,I,K,M1QIZ0.8
RCORESORCINOL1,3,A,B,C,D,
E,G,H,I,K,Q,
R,S,U,X,Y
2OM00.8
BTTBENZENE-1,2,4,5-TETROLA,B,C,D,E,F,
G,H,I,J,K,L
1TI60.71
BTTBENZENE-1,2,4,5-TETROLM,N,O,P,Q,R,
S,T,U,V,W,X
1VLF0.71
2MP3,4-DIMETHYLPHENOLA1L5O0.7
MCT4-METHYLCATECHOLA1L4G0.71
MCT4-METHYLCATECHOLA2EHZ0.71
MCT4-METHYLCATECHOLA,B1DMH0.71
CAQCATECHOLB2BUY0.81
CAQCATECHOLA1KND0.81
CAQCATECHOLB2BUQ0.81
CAQCATECHOLA,B1DLT0.81
CAQCATECHOLA1XEP0.81
CAQCATECHOLA2PUM0.81
HSP4-(2-HYDROXYPHENYLSULFINYL)-BUTYLPHOSPHONIC ACIDA,B1CW20.71
EPLDIETHYL 4-METHOXYPHENYL PHOSPHATEA2R1N0.8
PSYphenyl ethenesulfonateA3BM80.78
PSYphenyl ethenesulfonateA3BLT0.78
FPN4-FLUOROPHENOLA,B1XVD0.82
2CH2-CHLOROPHENOLA1WBO0.74
IPHPHENOLA,B2OLD0.85
IPHPHENOLA,B,C,D2PZV0.85
IPHPHENOLA1LI20.85
IPHPHENOLA2J9N0.85
IPHPHENOLA,B,C,D2OMB0.85
IPHPHENOLA1JHX0.85
IPHPHENOLA,B,C,D2VE70.85
IPHPHENOLB,D,E,G,H,J,L1AI00.85
IPHPHENOLA,B,C,D1FOH0.85
IPHPHENOLA1V030.85
IPHPHENOLA,C,E,G,I,K5AIY0.85
IPHPHENOLB,D,F,H,J,L1AIY0.85
IPHPHENOLA,B1XU50.85
IPHPHENOLA,B,C,D,E,G,
I,K
1W8P0.85
IPHPHENOLA,C,E,G,I,K4AIY0.85
IPHPHENOLA,B,C,D,E,F,
G,H
1XDA0.85
IPHPHENOLA2AS30.85
IPHPHENOLA,B,C,D1ZEG0.85
IPHPHENOLA,B,C,D1PN00.85
IPHPHENOLA,B,C,D1XW70.85
IPHPHENOLA,C,E,G,I,K,M1QIY0.85
IPHPHENOLA,B,C,D1Q4V0.85
IPHPHENOLB1AI70.85
IPHPHENOLA1FJW0.85
IPHPHENOLB,C,D1RWE0.85
IPHPHENOLA,B,C,D,E,G,
H,I,K
1ZNJ0.85
IPHPHENOLB,C,D3GKY0.85
IPHPHENOLA1JHY0.85
IPHPHENOLA,C,E,G,I,K3AIY0.85
IPHPHENOLA,B2OMN0.85
IPHPHENOLA,C,E,G,I,K2AIY0.85
IPHPHENOLA,B,D1MPJ0.85
IPHPHENOLA,B,C,D,F,G,
H,J
1WAV0.85
IPHPHENOLB,C,D1LPH0.85
HPSPHENYL DIHYDROGEN PHOSPHATEA1O4O0.99
HTS2-MERCAPTOPHENOLA2OSM0.76
2BR2-BROMOPHENOLA,B,C,D2A9W0.75
2682-phenoxyethanolA2RBR0.71
GVFBENZENE-1,2,3,4-TETRAYL TETRAKIS[DIHYDROGEN (PHOSPHATE)]A2UVM0.8
4BR2-(4-METHYLPHENOXY)ETHYLPHOSPHINATEA1PE70.71
BML4-BROMOPHENOLA,B,E3DHH0.75
BML4-BROMOPHENOLA,B1XU30.75
BML4-BROMOPHENOLA,B1T0S0.75
2LP2-ALLYLPHENOLA1OV50.74
BPM4-PHOSPHONOOXY-PHENYL-METHYL-[4-
PHOSPHONOOXY]BENZEN
A1AAX0.79
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E0Y0.74
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E8G0.74
TH04-MERCAPTOBENZENE-1,3-DIOLA2OSF0.71
FP22-fluorophenolA3CPO0.82
4NP4-NITROPHENYL PHOSPHATEA,B1D1Q0.7
4NP4-NITROPHENYL PHOSPHATEA,B1VE70.7
4NP4-NITROPHENYL PHOSPHATEA2I6P0.7
ETY4-ethylphenolA,B,C,D2RA60.74
HF14-(2-HYDROXY-4-FLUOROPHENYLTHIO)-
BUTYLPHOSPHONIC ACID
A,B1C9D0.71
POT(1S)-1-(PHENOXYMETHYL)PROPYL METHYLPHOSPHONOCHLORIDOATEA2NW60.75
3FA3-FLUOROBENZENE-1,2-DIOLA2AS40.78
3CH3-CHLOROPHENOLA1LI30.75
EPTHEPTANYL-P-PHENOLA,B1AHZ0.71
PCRP-CRESOLA1JHV0.75
PCRP-CRESOLA1JHU0.75
PCRP-CRESOLA,B,C,D1DIQ0.75
2622-FORMYLPHENYL DIHYDROGEN PHOSPHATEA1O4D0.7