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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02821706

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
EPLDIETHYL 4-METHOXYPHENYL PHOSPHATEA2R1N0.76
MLGN-[3-(2,4-DICHLOROPHENOXY)PROPYL]-
N-METHYL-N-PROP-2-YNYLAMINE
A,B2BXR0.71
MLGN-[3-(2,4-DICHLOROPHENOXY)PROPYL]-
N-METHYL-N-PROP-2-YNYLAMINE
A,B2BXS0.71
MLGN-[3-(2,4-DICHLOROPHENOXY)PROPYL]-
N-METHYL-N-PROP-2-YNYLAMINE
A,B,C,D1O5W0.71
258(2-chloroethoxy)benzeneX2RAY0.92
TON2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOLA,B1SEZ0.73
EUG2-METHOXY-4-VINYL-PHENOLA2QU90.75
EUG2-METHOXY-4-VINYL-PHENOLA,B1QLU0.75
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1J0.75
EUG2-METHOXY-4-VINYL-PHENOLA,B2VAO0.75
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1K0.75
EUG2-METHOXY-4-VINYL-PHENOLA,B1DZN0.75
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1L0.75
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1M0.75
DCNDICLOSANA,B,C,D2PD40.77
POT(1S)-1-(PHENOXYMETHYL)PROPYL METHYLPHOSPHONOCHLORIDOATEA2NW60.83
2682-phenoxyethanolA2RBR0.85
4BR2-(4-METHYLPHENOXY)ETHYLPHOSPHINATEA1PE70.75
CFA(2,4-DICHLOROPHENOXY)ACETIC ACIDB,E2P1N0.74
TRTFRAGMENT OF TRITON X-100A,E2I0U0.75
TRTFRAGMENT OF TRITON X-100A,B1OIZ0.75
4HM4-HYDROPEROXY-2-METHOXY-PHENOLA1HU90.73
OXNOXTOXYNOL-10A1IKT0.71
OXNOXTOXYNOL-10A,B2Q320.71
OXNOXTOXYNOL-10A,B1UEH0.71
OXNOXTOXYNOL-10A,B2D4Q0.71
DBA(2,6-DIMETHYL-PHENOXY)-ACETIC ACIDA,B1IDB0.72
GMN2,2',2"-[1,2,3-BENZENE-TRIYLTRIS(OXY)]TRIS[N,N,N-
TRIETHYLETHANAMINIUM]
A,B1N5M0.75
BOP1-BROMO-4-METHOXYBENZENEC,F1RHQ0.72
DR6ALPHA-[4-(1,1,3,3 - TETRAMETHYLBUTYL)PHENYL]-
OMEGA-HYDROXY-POLY(OXY-1,2-ETHANEDIYL)
C,I,T1YTZ0.7
INK(RP,SP)-O-(2R)-(1-PHENOXYBUT-2-
YL)-METHYLPHOSPHONIC ACID CHLORIDE
A1HQD0.83
MSB1-METHYLOXY-4-SULFONE-BENZENEA1EUB0.73
MSB1-METHYLOXY-4-SULFONE-BENZENEA1BM60.73
8PS5-OCTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B370.72
5PP5-PENTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B360.72
2612-ethoxyphenolX2RB10.87
TCLTRICLOSANA,B,C,D2PD30.75
TCLTRICLOSANA,B1P450.75
TCLTRICLOSANA,B,C,D,E,F2B350.75
TCLTRICLOSANA,B1D8A0.75
TCLTRICLOSANA,B1C140.75
TCLTRICLOSANA,B,C,D2QIO0.75
TCLTRICLOSANA,B1NHG0.75
TCLTRICLOSANA1D7O0.75
TCLTRICLOSANA,B,C,D2O2Y0.75
TCLTRICLOSANA,B1UH50.75
TCLTRICLOSANA,B2O2S0.75
TCLTRICLOSANA,B,C,D1QG60.75
TCLTRICLOSANA,B,C,D,E,F,
G,H
1QSG0.75
TF52-[(2',3',4'-TRIFLUOROBIPHENYL-
2-YL)OXY]ETHANOL
A,B2OP30.71
4403-{[4-(but-2-yn-1-yloxy)phenyl]sulfonyl}propane-
1-thiol
A3B920.7
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,B1JP30.71
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
A2W220.71