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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00625082

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
NRO3-[5-(2-nitropent-1-en-1-yl)furan-
2-yl]benzoic acid
A,B2ZK50.72
L41{4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenoxy}acetic acidA,B3D5F0.73
DFL2-(4-HYDROXY-PHENYL)-CHROMAN-4-
ONE
A,B1JEP0.71
IKRmethyl (2E)-{2-[(4-iodo-2,5-dimethylphenoxy)methyl]phenyl}(methoxyimino)ethanoateA,C,D,E,N,P,
Q,R
3H1K0.7
FLN2-PHENYL-4H-CHROMEN-4-ONEA2G0L0.73
BZMBENZOIC ACID PHENYLMETHYLESTERA,B1DZM0.73
FC25-(2,5-DICHLOROPHENYL)-2-FUROIC ACIDA2EVM0.77
DBA(2,6-DIMETHYL-PHENOXY)-ACETIC ACIDA,B1IDB0.76
3972-(4-HYDROXY-PHENYL)BENZOFURAN-
5-OL
A,B1U9E0.71
FU2FURFURALA,B,C,D1QXD0.76
GRR(2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acidA3CDS0.76
MPB4-HYDROXY-BENZOIC ACID METHYL ESTERB,C,D2VK00.74
MPB4-HYDROXY-BENZOIC ACID METHYL ESTERA,B,D3MTH0.74
EAAETHACRYNIC ACIDA,B3DGQ0.71
EAAETHACRYNIC ACIDA,B11GS0.71
EAAETHACRYNIC ACIDA,B,C,D1GSF0.71
EAAETHACRYNIC ACIDA,B2GSS0.71
EAAETHACRYNIC ACIDA,B3GSS0.71
EAAETHACRYNIC ACIDA,B1GSE0.71
A185-(2-CHLOROBENZYL)-2-FUROIC ACIDA2Q960.8
ANN4-METHOXYBENZOIC ACIDA2B960.77
ANN4-METHOXYBENZOIC ACIDA2QUE0.77
ANN4-METHOXYBENZOIC ACIDA1SV30.77
ANN4-METHOXYBENZOIC ACIDA1O2E0.77
ANN4-METHOXYBENZOIC ACIDA,B,C,D3CBI0.77
VXXVANILLATEA,B1WB60.73
IHB3-IODO-4-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCI0.7
VII2,5-DIPHENYLFURAN-3,4-DICARBOXYLIC ACIDA,B2GFK0.72
DTCBISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2-
BENZOPYRONE]
A2Z9C0.73
DTCBISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2-
BENZOPYRONE]
A,B1OOQ0.73
DTCBISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2-
BENZOPYRONE]
A,B,C,D,E,F,
G,H
2F1O0.73
TOM4-(2-METHOXYPHENYL)-2-OXOBUT-3-
ENOIC ACID
A2IMF0.74
ZZ14-METHYL-2H-CHROMEN-2-ONEA2CIP0.72
2C2(2S)-2-HYDROXY-2H-CHROMENE-2-CARBOXYLIC ACIDA2IME0.73
2C2(2S)-2-HYDROXY-2H-CHROMENE-2-CARBOXYLIC ACIDA2IMD0.73
LRG(2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acidA3B3K0.73
LRG(2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acidA3D6D0.73
T4AC,D1KGI0.72
T4AA,B1Z7J0.72
BZFBENZOFURANA182L0.78
AIN2-(ACETYLOXY)BENZOIC ACIDA3GCL0.74
AIN2-(ACETYLOXY)BENZOIC ACIDA2QQT0.74
AIN2-(ACETYLOXY)BENZOIC ACIDA1TGM0.74
AIN2-(ACETYLOXY)BENZOIC ACIDA2G5J0.74
AIN2-(ACETYLOXY)BENZOIC ACIDA1OXR0.74
AIN2-(ACETYLOXY)BENZOIC ACIDA3HWY0.74
AZ2(2S)-2-ETHOXY-3-[4-(2-{4-[(METHYLSULFONYL)OXY]PHENYL}ETHOXY)PHENYL]PROPANOIC ACIDA,B1I7I0.71
AZ2(2S)-2-ETHOXY-3-[4-(2-{4-[(METHYLSULFONYL)OXY]PHENYL}ETHOXY)PHENYL]PROPANOIC ACIDA1I7G0.71
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A2PIT0.73
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A1NQ10.73
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A2PIU0.73
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A2PKL0.73
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A,B3D570.73
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A1NQ20.73
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A2QPY0.73
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A1NQ00.73
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A1NUO0.73
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A,B2PIN0.73
COUCOUMARINA3CRB0.73
COUCOUMARINA2PMJ0.73
COUCOUMARINA2H900.73
COUCOUMARINA,B,C,D1Z100.73
COUCOUMARINA2PWB0.73
FOA2-FUROIC ACIDA,B2GF30.8
FOA2-FUROIC ACIDA,B,D2GAG0.8
FOA2-FUROIC ACIDA,B,C,D2GAH0.8
OFF2-DEOXY-3,4-BIS-O-[3-(4-HYDROXYPHENYL)PROPANOYL]-
L-THREO-PENTARIC ACID
A2OFF0.72
FUX5-HYDROXYMETHYL-FURFURALA,B,C,D1QXE0.75
8MOMETHOXSALENA,B,C,D1Z110.75
AI73-(heptyloxy)benzoic acidA,B2O3Z0.77
VNL4-HYDROXY-3-METHOXYBENZOATEA,B,C,D2AHC0.71
VNL4-HYDROXY-3-METHOXYBENZOATEA1XLR0.71
NOANAPHTHYLOXYACETIC ACIDA,B,I1HIV0.73
NOANAPHTHYLOXYACETIC ACIDI1IVP0.73
YRG(2S)-2-(4-chlorophenoxy)-3-phenylpropanoic acidA3CDP0.72
A045-[2-(TRIFLUOROMETHOXY)PHENYL]-
2-FUROIC ACID
A2Q940.78
FC35-[2-(TRIFLUOROMETHYL)PHENYL]-2-
FUROIC ACID
A2EVC0.81
FCD5-(2-CHLOROPHENYL)FURAN-2-CARBOXYLIC ACIDA1XNZ0.79
B215-(2-METHOXYPHENYL)-2-FUROIC ACIDA2Q930.81