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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00822012

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
BOP1-BROMO-4-METHOXYBENZENEC,F1RHQ0.76
LJ42,6-dibromo-4-phenoxyphenolA,B3CN30.71
TON2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOLA,B1SEZ0.72
4BR2-(4-METHYLPHENOXY)ETHYLPHOSPHINATEA1PE70.74
HFL5-(3,3-DIHYDROXYPROPENY)-3-METHOXY-
BENZENE-1,2-DIOL
C,F1KYW0.73
TRTFRAGMENT OF TRITON X-100A,E2I0U0.73
TRTFRAGMENT OF TRITON X-100A,B1OIZ0.73
RCORESORCINOLA,B,C,E,F,G,
H,I,J,K
2OLY0.71
RCORESORCINOL1,3,A,B,C,D,
E,G,H,I,K,Q,
R,S,T,U,X,Y
2OM10.71
RCORESORCINOLA,B,C,E,G,H,
I,K
2OLZ0.71
RCORESORCINOLA,B,C,D,E,F2OMH0.71
RCORESORCINOLA,B,C,E,G,H,
I,J,K
2OMI0.71
RCORESORCINOLA,B,C,D,E,G,
I,J,K
1EVR0.71
RCORESORCINOLA,C,E,G,I,K,M1QIZ0.71
RCORESORCINOL1,3,A,B,C,D,
E,G,H,I,K,Q,
R,S,U,X,Y
2OM00.71
2682-phenoxyethanolA2RBR0.84
4HM4-HYDROPEROXY-2-METHOXY-PHENOLA1HU90.79
MSB1-METHYLOXY-4-SULFONE-BENZENEA1EUB0.71
MSB1-METHYLOXY-4-SULFONE-BENZENEA1BM60.71
POT(1S)-1-(PHENOXYMETHYL)PROPYL METHYLPHOSPHONOCHLORIDOATEA2NW60.8
GMN2,2',2"-[1,2,3-BENZENE-TRIYLTRIS(OXY)]TRIS[N,N,N-
TRIETHYLETHANAMINIUM]
A,B1N5M0.79
INK(RP,SP)-O-(2R)-(1-PHENOXYBUT-2-
YL)-METHYLPHOSPHONIC ACID CHLORIDE
A1HQD0.8
4MU7-hydroxy-4-methyl-2H-chromen-2-
one
A,B3ETS0.7
DBA(2,6-DIMETHYL-PHENOXY)-ACETIC ACIDA,B1IDB0.7
EPLDIETHYL 4-METHOXYPHENYL PHOSPHATEA2R1N0.75
258(2-chloroethoxy)benzeneX2RAY0.79
2612-ethoxyphenolX2RB10.8