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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03237012

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
A185-(2-CHLOROBENZYL)-2-FUROIC ACIDA2Q960.71
C1F3-CARBOXY-4-METHYL-5-PROPYL-2-FURANPROPIONICA,B2BXA0.74
VII2,5-DIPHENYLFURAN-3,4-DICARBOXYLIC ACIDA,B2GFK0.73
MPB4-HYDROXY-BENZOIC ACID METHYL ESTERB,C,D2VK00.72
MPB4-HYDROXY-BENZOIC ACID METHYL ESTERA,B,D3MTH0.72
4BR2-(4-METHYLPHENOXY)ETHYLPHOSPHINATEA1PE70.72
BZFBENZOFURANA182L0.88
B29[2-(3-DIBENZOFURAN-4-YL-PHENYL)-
1-HYDROXY-1-PHOSPHONO-ETHYL]-PHOSPHONIC ACID
A,B2E980.72
B29[2-(3-DIBENZOFURAN-4-YL-PHENYL)-
1-HYDROXY-1-PHOSPHONO-ETHYL]-PHOSPHONIC ACID
A,B2E930.72
ZHZ2-(4-METHOXYPHENYL)ACETAMIDED,H2HKR0.72
B215-(2-METHOXYPHENYL)-2-FUROIC ACIDA2Q930.73
D182,5-BIS{[4-(N-ISOPROPYL)DIAMINOMETHYL]PHENYL}FURANB298D0.7
BGF2,5-BIS(4-GUANYLPHENYL)FURANA227D0.73
34C(3-CHLORO-4-PROPOXY-PHENYL)-ACETIC ACIDA,B1HT80.71
BZMBENZOIC ACID PHENYLMETHYLESTERA,B1DZM0.72
FU2FURFURALA,B,C,D1QXD0.76
FC35-[2-(TRIFLUOROMETHYL)PHENYL]-2-
FUROIC ACID
A2EVC0.72
MPP3-(3,4-DIMETHOXYPHENYL)PROPIONIC ACIDA,B2AY30.7
TRTFRAGMENT OF TRITON X-100A,E2I0U0.73
TRTFRAGMENT OF TRITON X-100A,B1OIZ0.73
AIN2-(ACETYLOXY)BENZOIC ACIDA3GCL0.76
AIN2-(ACETYLOXY)BENZOIC ACIDA2QQT0.76
AIN2-(ACETYLOXY)BENZOIC ACIDA1TGM0.76
AIN2-(ACETYLOXY)BENZOIC ACIDA2G5J0.76
AIN2-(ACETYLOXY)BENZOIC ACIDA1OXR0.76
AIN2-(ACETYLOXY)BENZOIC ACIDA3HWY0.76
AI73-(heptyloxy)benzoic acidA,B2O3Z0.81
3002-FORMYL-6-METHOXYPHENYL DIHYDROGEN PHOSPHATEA1O410.71
FLN2-PHENYL-4H-CHROMEN-4-ONEA2G0L0.78
GRR(2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acidA3CDS0.73
TOM4-(2-METHOXYPHENYL)-2-OXOBUT-3-
ENOIC ACID
A2IMF0.71
V554-hydroxy-3-methoxybenzaldehydeB,D,E,F2VSS0.72
V554-hydroxy-3-methoxybenzaldehydeA,B,D,E,F2VSU0.72
FUX5-HYDROXYMETHYL-FURFURALA,B,C,D1QXE0.72
SB82-(3-BENZOYLPHENOXY)ETHYL(HYDROXY)FORMAMIDEA2AIA0.7
COUCOUMARINA3CRB0.72
COUCOUMARINA2PMJ0.72
COUCOUMARINA2H900.72
COUCOUMARINA,B,C,D1Z100.72
COUCOUMARINA2PWB0.72
AC6P-HYDROXYACETOPHENONEA2GQ80.71
AC6P-HYDROXYACETOPHENONEX2O480.71
DFL2-(4-HYDROXY-PHENYL)-CHROMAN-4-
ONE
A,B1JEP0.73
ANN4-METHOXYBENZOIC ACIDA2B960.76
ANN4-METHOXYBENZOIC ACIDA2QUE0.76
ANN4-METHOXYBENZOIC ACIDA1SV30.76
ANN4-METHOXYBENZOIC ACIDA1O2E0.76
ANN4-METHOXYBENZOIC ACIDA,B,C,D3CBI0.76
DBFDIBENZOFURAN-4,6-DICARBOXYLIC ACIDB1DVU0.7
FOA2-FUROIC ACIDA,B2GF30.71
FOA2-FUROIC ACIDA,B,D2GAG0.71
FOA2-FUROIC ACIDA,B,C,D2GAH0.71
ZZ14-METHYL-2H-CHROMEN-2-ONEA2CIP0.73
TON2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOLA,B1SEZ0.71
3972-(4-HYDROXY-PHENYL)BENZOFURAN-
5-OL
A,B1U9E0.73
3MB3-METHOXYBENZAMIDEA3PAX0.73