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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00010721

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
258(2-chloroethoxy)benzeneX2RAY0.93
4HC4-HYDROXY-2H-CHROMEN-2-ONEA,B1V5Y0.71
TOM4-(2-METHOXYPHENYL)-2-OXOBUT-3-
ENOIC ACID
A2IMF0.7
TRTFRAGMENT OF TRITON X-100A,E2I0U0.77
TRTFRAGMENT OF TRITON X-100A,B1OIZ0.77
INK(RP,SP)-O-(2R)-(1-PHENOXYBUT-2-
YL)-METHYLPHOSPHONIC ACID CHLORIDE
A1HQD0.85
BR3(6-METHYL-3,4-DIHYDRO-2H-CHROMEN-
2-YL)METHYLPHOSPHINATE
A1PE50.74
PSYphenyl ethenesulfonateA3BM80.74
PSYphenyl ethenesulfonateA3BLT0.74
EUG2-METHOXY-4-VINYL-PHENOLA2QU90.73
EUG2-METHOXY-4-VINYL-PHENOLA,B1QLU0.73
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1J0.73
EUG2-METHOXY-4-VINYL-PHENOLA,B2VAO0.73
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1K0.73
EUG2-METHOXY-4-VINYL-PHENOLA,B1DZN0.73
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1L0.73
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1M0.73
TF52-[(2',3',4'-TRIFLUOROBIPHENYL-
2-YL)OXY]ETHANOL
A,B2OP30.75
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,B1JP30.73
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
A2W220.73
BOP1-BROMO-4-METHOXYBENZENEC,F1RHQ0.81
FFP2,6-DIFLUOROPHENOLA2INX0.71
DCNDICLOSANA,B,C,D2PD40.72
OA56-(2-phenoxyethoxy)-1,3,5-triazine-
2,4-diamine
A,B2W6Q0.73
4HM4-HYDROPEROXY-2-METHOXY-PHENOLA1HU90.71
OXNOXTOXYNOL-10A1IKT0.73
OXNOXTOXYNOL-10A,B2Q320.73
OXNOXTOXYNOL-10A,B1UEH0.73
OXNOXTOXYNOL-10A,B2D4Q0.73
CAQCATECHOLB2BUY0.71
CAQCATECHOLA1KND0.71
CAQCATECHOLB2BUQ0.71
CAQCATECHOLA,B1DLT0.71
CAQCATECHOLA1XEP0.71
CAQCATECHOLA2PUM0.71
MSB1-METHYLOXY-4-SULFONE-BENZENEA1EUB0.79
MSB1-METHYLOXY-4-SULFONE-BENZENEA1BM60.79
EPLDIETHYL 4-METHOXYPHENYL PHOSPHATEA2R1N0.83
505(2R)-1-(2,6-dimethylphenoxy)propan-
2-amine
A2VIN0.74
HPSPHENYL DIHYDROGEN PHOSPHATEA1O4O0.72
FP22-fluorophenolA3CPO0.73
2682-phenoxyethanolA2RBR0.92
2612-ethoxyphenolX2RB10.85
4403-{[4-(but-2-yn-1-yloxy)phenyl]sulfonyl}propane-
1-thiol
A3B920.76
COUCOUMARINA3CRB0.74
COUCOUMARINA2PMJ0.74
COUCOUMARINA2H900.74
COUCOUMARINA,B,C,D1Z100.74
COUCOUMARINA2PWB0.74
ZHH2-(4-METHOXYPHENYL)ETHANAMINED,H2HKR0.74
LJ42,6-dibromo-4-phenoxyphenolA,B3CN30.75
BZFBENZOFURANA182L0.7
CFA(2,4-DICHLOROPHENOXY)ACETIC ACIDB,E2P1N0.71
CTX(Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)-
PHENOXY]-N,N-DIMETHYLETHANAMINE
A,B,C1YA40.72
PZM1-(4-METHOXYPHENYL)METHANAMINEA,D,H2HJB0.73
MLGN-[3-(2,4-DICHLOROPHENOXY)PROPYL]-
N-METHYL-N-PROP-2-YNYLAMINE
A,B2BXR0.72
MLGN-[3-(2,4-DICHLOROPHENOXY)PROPYL]-
N-METHYL-N-PROP-2-YNYLAMINE
A,B2BXS0.72
MLGN-[3-(2,4-DICHLOROPHENOXY)PROPYL]-
N-METHYL-N-PROP-2-YNYLAMINE
A,B,C,D1O5W0.72
DR6ALPHA-[4-(1,1,3,3 - TETRAMETHYLBUTYL)PHENYL]-
OMEGA-HYDROXY-POLY(OXY-1,2-ETHANEDIYL)
C,I,T1YTZ0.72
IPHPHENOLA,B2OLD0.76
IPHPHENOLA,B,C,D2PZV0.76
IPHPHENOLA1LI20.76
IPHPHENOLA2J9N0.76
IPHPHENOLA,B,C,D2OMB0.76
IPHPHENOLA1JHX0.76
IPHPHENOLA,B,C,D2VE70.76
IPHPHENOLB,D,E,G,H,J,L1AI00.76
IPHPHENOLA,B,C,D1FOH0.76
IPHPHENOLA1V030.76
IPHPHENOLA,C,E,G,I,K5AIY0.76
IPHPHENOLB,D,F,H,J,L1AIY0.76
IPHPHENOLA,B1XU50.76
IPHPHENOLA,B,C,D,E,G,
I,K
1W8P0.76
IPHPHENOLA,C,E,G,I,K4AIY0.76
IPHPHENOLA,B,C,D,E,F,
G,H
1XDA0.76
IPHPHENOLA2AS30.76
IPHPHENOLA,B,C,D1ZEG0.76
IPHPHENOLA,B,C,D1PN00.76
IPHPHENOLA,B,C,D1XW70.76
IPHPHENOLA,C,E,G,I,K,M1QIY0.76
IPHPHENOLA,B,C,D1Q4V0.76
IPHPHENOLB1AI70.76
IPHPHENOLA1FJW0.76
IPHPHENOLB,C,D1RWE0.76
IPHPHENOLA,B,C,D,E,G,
H,I,K
1ZNJ0.76
IPHPHENOLB,C,D3GKY0.76
IPHPHENOLA1JHY0.76
IPHPHENOLA,C,E,G,I,K3AIY0.76
IPHPHENOLA,B2OMN0.76
IPHPHENOLA,C,E,G,I,K2AIY0.76
IPHPHENOLA,B,D1MPJ0.76
IPHPHENOLA,B,C,D,F,G,
H,J
1WAV0.76
IPHPHENOLB,C,D1LPH0.76
IOL4-IODOPHENOLA,B1EWA0.73
FPN4-FLUOROPHENOLA,B1XVD0.73
DBA(2,6-DIMETHYL-PHENOXY)-ACETIC ACIDA,B1IDB0.74
4BR2-(4-METHYLPHENOXY)ETHYLPHOSPHINATEA1PE70.82
GMN2,2',2"-[1,2,3-BENZENE-TRIYLTRIS(OXY)]TRIS[N,N,N-
TRIETHYLETHANAMINIUM]
A,B1N5M0.72
TON2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOLA,B1SEZ0.76
POT(1S)-1-(PHENOXYMETHYL)PROPYL METHYLPHOSPHONOCHLORIDOATEA2NW60.85
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
ZZ14-METHYL-2H-CHROMEN-2-ONEA2CIP0.75
RSOR-STYRENE OXIDEA,B1PWZ0.71