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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02196464

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
TRTFRAGMENT OF TRITON X-100A,E2I0U0.77
TRTFRAGMENT OF TRITON X-100A,B1OIZ0.77
IPHPHENOLA,B2OLD0.72
IPHPHENOLA,B,C,D2PZV0.72
IPHPHENOLA1LI20.72
IPHPHENOLA2J9N0.72
IPHPHENOLA,B,C,D2OMB0.72
IPHPHENOLA1JHX0.72
IPHPHENOLA,B,C,D2VE70.72
IPHPHENOLB,D,E,G,H,J,L1AI00.72
IPHPHENOLA,B,C,D1FOH0.72
IPHPHENOLA1V030.72
IPHPHENOLA,C,E,G,I,K5AIY0.72
IPHPHENOLB,D,F,H,J,L1AIY0.72
IPHPHENOLA,B1XU50.72
IPHPHENOLA,B,C,D,E,G,
I,K		1W8P0.72
IPHPHENOLA,C,E,G,I,K4AIY0.72
IPHPHENOLA,B,C,D,E,F,
G,H		1XDA0.72
IPHPHENOLA2AS30.72
IPHPHENOLA,B,C,D1ZEG0.72
IPHPHENOLA,B,C,D1PN00.72
IPHPHENOLA,B,C,D1XW70.72
IPHPHENOLA,C,E,G,I,K,M1QIY0.72
IPHPHENOLA,B,C,D1Q4V0.72
IPHPHENOLB1AI70.72
IPHPHENOLA1FJW0.72
IPHPHENOLB,C,D1RWE0.72
IPHPHENOLA,B,C,D,E,G,
H,I,K		1ZNJ0.72
IPHPHENOLB,C,D3GKY0.72
IPHPHENOLA1JHY0.72
IPHPHENOLA,C,E,G,I,K3AIY0.72
IPHPHENOLA,B2OMN0.72
IPHPHENOLA,C,E,G,I,K2AIY0.72
IPHPHENOLA,B,D1MPJ0.72
IPHPHENOLA,B,C,D,F,G,
H,J		1WAV0.72
IPHPHENOLB,C,D1LPH0.72
TCLTRICLOSANA,B,C,D2PD30.71
TCLTRICLOSANA,B1P450.71
TCLTRICLOSANA,B,C,D,E,F2B350.71
TCLTRICLOSANA,B1D8A0.71
TCLTRICLOSANA,B1C140.71
TCLTRICLOSANA,B,C,D2QIO0.71
TCLTRICLOSANA,B1NHG0.71
TCLTRICLOSANA1D7O0.71
TCLTRICLOSANA,B,C,D2O2Y0.71
TCLTRICLOSANA,B1UH50.71
TCLTRICLOSANA,B2O2S0.71
TCLTRICLOSANA,B,C,D1QG60.71
TCLTRICLOSANA,B,C,D,E,F,
G,H		1QSG0.71
CMZ(2S)-1-(2,5-dimethylphenoxy)-3-
morpholin-4-ylpropan-2-ol		A2OF00.73
DBA(2,6-DIMETHYL-PHENOXY)-ACETIC ACIDA,B1IDB0.79
4BR2-(4-METHYLPHENOXY)ETHYLPHOSPHINATEA1PE70.78
D1L2-[4-(2,4-DICHLOROPHENOXY)PHENOXY]PROPANOIC ACIDA,B1UYR0.7
ZZ14-METHYL-2H-CHROMEN-2-ONEA2CIP0.71
SXXSINAPINATEA,B1WB40.7
DCNDICLOSANA,B,C,D2PD40.75
TOM4-(2-METHOXYPHENYL)-2-OXOBUT-3-
ENOIC ACID		A2IMF0.72
POT(1S)-1-(PHENOXYMETHYL)PROPYL METHYLPHOSPHONOCHLORIDOATEA2NW60.82
H532-(2,5-DIHYDROXYPHENYL)-6-(HYDROXYMETHYL)OXANE-
3,4,5-TRIOL		A2FF50.72
H532-(2,5-DIHYDROXYPHENYL)-6-(HYDROXYMETHYL)OXANE-
3,4,5-TRIOL		A2FET0.72
CFA(2,4-DICHLOROPHENOXY)ACETIC ACIDB,E2P1N0.73
AI73-(heptyloxy)benzoic acidA,B2O3Z0.71
PFI(6S)-6-CYCLOPENTYL-6-[2-(3-FLUORO-
4-ISOPROPOXYPHENYL)ETHYL]-4-HYDROXY-
5,6-DIHYDRO-2H-PYRAN-2-ONE		A2HAI0.72
4403-{[4-(but-2-yn-1-yloxy)phenyl]sulfonyl}propane-
1-thiol		A3B920.71
CA2(1S,3R,4R,5S)-1,3,4-TRIHYDROXY-
5-(3-PHENOXYPROPYL)CYCLOHEXANECARBOXYLIC ACID		A,B,C,D,E,F,
G,H,I,J,K,L		2BT40.71
HFL5-(3,3-DIHYDROXYPROPENY)-3-METHOXY-
BENZENE-1,2-DIOL		C,F1KYW0.75
2C2(2S)-2-HYDROXY-2H-CHROMENE-2-CARBOXYLIC ACIDA2IME0.73
2C2(2S)-2-HYDROXY-2H-CHROMENE-2-CARBOXYLIC ACIDA2IMD0.73
CAQCATECHOLB2BUY0.73
CAQCATECHOLA1KND0.73
CAQCATECHOLB2BUQ0.73
CAQCATECHOLA,B1DLT0.73
CAQCATECHOLA1XEP0.73
CAQCATECHOLA2PUM0.73
EGT2-(3,4,5-TRIHYDROXY-PHENYL)-CHROMAN-
3,5,7-TRIOL		A1JNQ0.7
PYGBENZENE-1,2,3-TRIOLA,B,C,D,E,F,
G,H,I,J,K,L		1TI40.7
PYGBENZENE-1,2,3-TRIOLM,N,O,P,Q,R,
S,T,U,V,W,X		1VLE0.7
LJ42,6-dibromo-4-phenoxyphenolA,B3CN30.73
TON2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOLA,B1SEZ0.82
ETY4-ethylphenolA,B,C,D2RA60.7
DR6ALPHA-[4-(1,1,3,3 - TETRAMETHYLBUTYL)PHENYL]-
OMEGA-HYDROXY-POLY(OXY-1,2-ETHANEDIYL)		C,I,T1YTZ0.78
OXNOXTOXYNOL-10A1IKT0.79
OXNOXTOXYNOL-10A,B2Q320.79
OXNOXTOXYNOL-10A,B1UEH0.79
OXNOXTOXYNOL-10A,B2D4Q0.79
MSB1-METHYLOXY-4-SULFONE-BENZENEA1EUB0.73
MSB1-METHYLOXY-4-SULFONE-BENZENEA1BM60.73
YR3(2S)-3-{4-[1-ethyl-1-(4-{[(2R)-
2-hydroxy-3,3-dimethylbutyl]oxy}-
3-methylphenyl)propyl]-2-methylphenoxy}propane-
1,2-diol		A2ZFX0.78
GRR(2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acidA3CDS0.74
NOANAPHTHYLOXYACETIC ACIDA,B,I1HIV0.72
NOANAPHTHYLOXYACETIC ACIDI1IVP0.72
INK(RP,SP)-O-(2R)-(1-PHENOXYBUT-2-
YL)-METHYLPHOSPHONIC ACID CHLORIDE		A1HQD0.82
4HC4-HYDROXY-2H-CHROMEN-2-ONEA,B1V5Y0.72
2682-phenoxyethanolA2RBR0.94
EPLDIETHYL 4-METHOXYPHENYL PHOSPHATEA2R1N0.77
TF52-[(2',3',4'-TRIFLUOROBIPHENYL-
2-YL)OXY]ETHANOL		A,B2OP30.8
5PP5-PENTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B360.75
4FE(2E)-3-(3-hydroxy-4-methoxyphenyl)prop-
2-enoic acid		A3CBG0.73
EPN3-(4-NITRO-PHENOXY)-PROPAN-1-OLA2SAM0.7
EUG2-METHOXY-4-VINYL-PHENOLA2QU90.79
EUG2-METHOXY-4-VINYL-PHENOLA,B1QLU0.79
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1J0.79
EUG2-METHOXY-4-VINYL-PHENOLA,B2VAO0.79
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1K0.79
EUG2-METHOXY-4-VINYL-PHENOLA,B1DZN0.79
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1L0.79
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1M0.79
BR3(6-METHYL-3,4-DIHYDRO-2H-CHROMEN-
2-YL)METHYLPHOSPHINATE		A1PE50.71
8PS5-OCTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B370.75
EGC2-(2-{2-[2-(2-{2-[2-(2-{2-[4-(1,1,3,3-
TETRAMETHYL-BUTYL)-PHENOXY]-ETHOXY}-
ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-
ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL		A,B1JP30.79
EGC2-(2-{2-[2-(2-{2-[2-(2-{2-[4-(1,1,3,3-
TETRAMETHYL-BUTYL)-PHENOXY]-ETHOXY}-
ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-
ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL		A2W220.79
258(2-chloroethoxy)benzeneX2RAY0.81
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID		A,C,E1KYZ0.73
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID		A1JT20.73
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID		A6ATJ0.73
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID		A,B1GKL0.73
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID		A1GWT0.73
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID		A,B,C2BJH0.73
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID		A1GW20.73
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID		A3CBG0.73
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID		A2BNJ0.73
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID		A,B1UWC0.73
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID		A7ATJ0.73
GMN2,2',2"-[1,2,3-BENZENE-TRIYLTRIS(OXY)]TRIS[N,N,N-
TRIETHYLETHANAMINIUM]		A,B1N5M0.72
MPP3-(3,4-DIMETHOXYPHENYL)PROPIONIC ACIDA,B2AY30.71
4HM4-HYDROPEROXY-2-METHOXY-PHENOLA1HU90.77
RCORESORCINOLA,B,C,E,F,G,
H,I,J,K		2OLY0.7
RCORESORCINOL1,3,A,B,C,D,
E,G,H,I,K,Q,
R,S,T,U,X,Y		2OM10.7
RCORESORCINOLA,B,C,E,G,H,
I,K		2OLZ0.7
RCORESORCINOLA,B,C,D,E,F2OMH0.7
RCORESORCINOLA,B,C,E,G,H,
I,J,K		2OMI0.7
RCORESORCINOLA,B,C,D,E,G,
I,J,K		1EVR0.7
RCORESORCINOLA,C,E,G,I,K,M1QIZ0.7
RCORESORCINOL1,3,A,B,C,D,
E,G,H,I,K,Q,
R,S,U,X,Y		2OM00.7
3FA3-FLUOROBENZENE-1,2-DIOLA2AS40.7
BOP1-BROMO-4-METHOXYBENZENEC,F1RHQ0.73
B76A,B2E9D0.71
2612-ethoxyphenolX2RB10.9