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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03422942

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
4HM4-HYDROPEROXY-2-METHOXY-PHENOLA1HU90.8
258(2-chloroethoxy)benzeneX2RAY0.84
OXNOXTOXYNOL-10A1IKT0.7
OXNOXTOXYNOL-10A,B2Q320.7
OXNOXTOXYNOL-10A,B1UEH0.7
OXNOXTOXYNOL-10A,B2D4Q0.7
HOM7-HYDROXY-4-METHYL-3-(2-HYDROXY-
ETHYL)COUMARIN
C,D1CJF0.72
EPLDIETHYL 4-METHOXYPHENYL PHOSPHATEA2R1N0.79
4BR2-(4-METHYLPHENOXY)ETHYLPHOSPHINATEA1PE70.78
POT(1S)-1-(PHENOXYMETHYL)PROPYL METHYLPHOSPHONOCHLORIDOATEA2NW60.81
TON2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOLA,B1SEZ0.73
DBA(2,6-DIMETHYL-PHENOXY)-ACETIC ACIDA,B1IDB0.71
SXXSINAPINATEA,B1WB40.7
GMN2,2',2"-[1,2,3-BENZENE-TRIYLTRIS(OXY)]TRIS[N,N,N-
TRIETHYLETHANAMINIUM]
A,B1N5M0.81
HFL5-(3,3-DIHYDROXYPROPENY)-3-METHOXY-
BENZENE-1,2-DIOL
C,F1KYW0.74
TRTFRAGMENT OF TRITON X-100A,E2I0U0.74
TRTFRAGMENT OF TRITON X-100A,B1OIZ0.74
2682-phenoxyethanolA2RBR0.85
RCORESORCINOLA,B,C,E,F,G,
H,I,J,K
2OLY0.76
RCORESORCINOL1,3,A,B,C,D,
E,G,H,I,K,Q,
R,S,T,U,X,Y
2OM10.76
RCORESORCINOLA,B,C,E,G,H,
I,K
2OLZ0.76
RCORESORCINOLA,B,C,D,E,F2OMH0.76
RCORESORCINOLA,B,C,E,G,H,
I,J,K
2OMI0.76
RCORESORCINOLA,B,C,D,E,G,
I,J,K
1EVR0.76
RCORESORCINOLA,C,E,G,I,K,M1QIZ0.76
RCORESORCINOL1,3,A,B,C,D,
E,G,H,I,K,Q,
R,S,U,X,Y
2OM00.76
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,B1JP30.7
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
A2W220.7
WST(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-
1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-
9-OL
A,B2POG0.72
MSB1-METHYLOXY-4-SULFONE-BENZENEA1EUB0.76
MSB1-METHYLOXY-4-SULFONE-BENZENEA1BM60.76
ZZ14-METHYL-2H-CHROMEN-2-ONEA2CIP0.72
4403-{[4-(but-2-yn-1-yloxy)phenyl]sulfonyl}propane-
1-thiol
A3B920.73
2612-ethoxyphenolX2RB10.81
PYGBENZENE-1,2,3-TRIOLA,B,C,D,E,F,
G,H,I,J,K,L
1TI40.72
PYGBENZENE-1,2,3-TRIOLM,N,O,P,Q,R,
S,T,U,V,W,X
1VLE0.72
LJ42,6-dibromo-4-phenoxyphenolA,B3CN30.7
BR3(6-METHYL-3,4-DIHYDRO-2H-CHROMEN-
2-YL)METHYLPHOSPHINATE
A1PE50.71
HV71-METHYLAMINE-2-HYDROXY-4-METHOXY-
BENZENE
C1A8G0.7
INK(RP,SP)-O-(2R)-(1-PHENOXYBUT-2-
YL)-METHYLPHOSPHONIC ACID CHLORIDE
A1HQD0.81
4MU7-hydroxy-4-methyl-2H-chromen-2-
one
A,B3ETS0.74
BOP1-BROMO-4-METHOXYBENZENEC,F1RHQ0.75
TF52-[(2',3',4'-TRIFLUOROBIPHENYL-
2-YL)OXY]ETHANOL
A,B2OP30.71
YZ97-HYDROXY-2-OXO-CHROMENE-3-CARBOXYLIC ACID ETHYL ESTERA,B,C1GCZ0.73