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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03421363

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
TOM4-(2-METHOXYPHENYL)-2-OXOBUT-3-
ENOIC ACID
A2IMF0.7
OXNOXTOXYNOL-10A1IKT0.78
OXNOXTOXYNOL-10A,B2Q320.78
OXNOXTOXYNOL-10A,B1UEH0.78
OXNOXTOXYNOL-10A,B2D4Q0.78
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
BR3(6-METHYL-3,4-DIHYDRO-2H-CHROMEN-
2-YL)METHYLPHOSPHINATE
A1PE50.74
CTX(Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)-
PHENOXY]-N,N-DIMETHYLETHANAMINE
A,B,C1YA40.71
DCNDICLOSANA,B,C,D2PD40.73
PZM1-(4-METHOXYPHENYL)METHANAMINEA,D,H2HJB0.71
HPSPHENYL DIHYDROGEN PHOSPHATEA1O4O0.7
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
CFA(2,4-DICHLOROPHENOXY)ACETIC ACIDB,E2P1N0.73
PSYphenyl ethenesulfonateA3BM80.72
PSYphenyl ethenesulfonateA3BLT0.72
505(2R)-1-(2,6-dimethylphenoxy)propan-
2-amine
A2VIN0.74
2682-phenoxyethanolA2RBR0.93
OA56-(2-phenoxyethoxy)-1,3,5-triazine-
2,4-diamine
A,B2W6Q0.74
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,B1JP30.78
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
A2W220.78
POT(1S)-1-(PHENOXYMETHYL)PROPYL METHYLPHOSPHONOCHLORIDOATEA2NW60.9
DBA(2,6-DIMETHYL-PHENOXY)-ACETIC ACIDA,B1IDB0.77
NOANAPHTHYLOXYACETIC ACIDA,B,I1HIV0.7
NOANAPHTHYLOXYACETIC ACIDI1IVP0.7
LJ42,6-dibromo-4-phenoxyphenolA,B3CN30.73
INK(RP,SP)-O-(2R)-(1-PHENOXYBUT-2-
YL)-METHYLPHOSPHONIC ACID CHLORIDE
A1HQD0.9
BOP1-BROMO-4-METHOXYBENZENEC,F1RHQ0.78
DR6ALPHA-[4-(1,1,3,3 - TETRAMETHYLBUTYL)PHENYL]-
OMEGA-HYDROXY-POLY(OXY-1,2-ETHANEDIYL)
C,I,T1YTZ0.77
4HM4-HYDROPEROXY-2-METHOXY-PHENOLA1HU90.74
2612-ethoxyphenolX2RB10.88
ZZ14-METHYL-2H-CHROMEN-2-ONEA2CIP0.74
COUCOUMARINA3CRB0.72
COUCOUMARINA2PMJ0.72
COUCOUMARINA2H900.72
COUCOUMARINA,B,C,D1Z100.72
COUCOUMARINA2PWB0.72
ZHH2-(4-METHOXYPHENYL)ETHANAMINED,H2HKR0.72
CMZ(2S)-1-(2,5-dimethylphenoxy)-3-
morpholin-4-ylpropan-2-ol
A2OF00.71
4403-{[4-(but-2-yn-1-yloxy)phenyl]sulfonyl}propane-
1-thiol
A3B920.77
TRTFRAGMENT OF TRITON X-100A,E2I0U0.82
TRTFRAGMENT OF TRITON X-100A,B1OIZ0.82
EPLDIETHYL 4-METHOXYPHENYL PHOSPHATEA2R1N0.85
4BR2-(4-METHYLPHENOXY)ETHYLPHOSPHINATEA1PE70.82
GMN2,2',2"-[1,2,3-BENZENE-TRIYLTRIS(OXY)]TRIS[N,N,N-
TRIETHYLETHANAMINIUM]
A,B1N5M0.77
8PS5-OCTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B370.74
AI73-(heptyloxy)benzoic acidA,B2O3Z0.7
TF52-[(2',3',4'-TRIFLUOROBIPHENYL-
2-YL)OXY]ETHANOL
A,B2OP30.76
258(2-chloroethoxy)benzeneX2RAY0.88
GRR(2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acidA3CDS0.72
5PP5-PENTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B360.74
EUG2-METHOXY-4-VINYL-PHENOLA2QU90.76
EUG2-METHOXY-4-VINYL-PHENOLA,B1QLU0.76
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1J0.76
EUG2-METHOXY-4-VINYL-PHENOLA,B2VAO0.76
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1K0.76
EUG2-METHOXY-4-VINYL-PHENOLA,B1DZN0.76
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1L0.76
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1M0.76
TON2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOLA,B1SEZ0.81
YR3(2S)-3-{4-[1-ethyl-1-(4-{[(2R)-
2-hydroxy-3,3-dimethylbutyl]oxy}-
3-methylphenyl)propyl]-2-methylphenoxy}propane-
1,2-diol
A2ZFX0.73
283(3S)-1-{[4-(BUT-2-YN-1-YLOXY)PHENYL]SULFONYL}PYRROLIDINE-
3-THIOL
A2OI00.7
B76A,B2E9D0.71