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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00601602

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D3E5U0.72
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B3E6B0.72
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D3E5X0.72
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B2H6B0.72
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDC3E6C0.72
YRG(2S)-2-(4-chlorophenoxy)-3-phenylpropanoic acidA3CDP0.8
DIC3,4-DICHLOROISOCOUMARINA1DIC0.75
FC25-(2,5-DICHLOROPHENYL)-2-FUROIC ACIDA2EVM0.78
3BZ3-chlorobenzoateX2QVZ0.72
3BZ3-chlorobenzoateX2QVX0.72
C2U3,5-dichloro-2-hydroxybenzoic acidA3C3U0.73
C2U3,5-dichloro-2-hydroxybenzoic acidA3CV70.73
L1O4-(2-aminoethoxy)-3,5-dichlorobenzoic acidA2VIO0.74
BZMBENZOIC ACID PHENYLMETHYLESTERA,B1DZM0.73
ANN4-METHOXYBENZOIC ACIDA2B960.73
ANN4-METHOXYBENZOIC ACIDA2QUE0.73
ANN4-METHOXYBENZOIC ACIDA1SV30.73
ANN4-METHOXYBENZOIC ACIDA1O2E0.73
ANN4-METHOXYBENZOIC ACIDA,B,C,D3CBI0.73
3CAA,B2B770.77
SC41[2-CHLORO-4-METHOXY-PHENYL-OXYMETHYL]-
4-[2,6-DICHLORO-PHENYL-OXYMETHYL]-
BENZENE
1,41EAH0.72
SC41[2-CHLORO-4-METHOXY-PHENYL-OXYMETHYL]-
4-[2,6-DICHLORO-PHENYL-OXYMETHYL]-
BENZENE
1,43EPF0.72
VII2,5-DIPHENYLFURAN-3,4-DICARBOXYLIC ACIDA,B2GFK0.7
FLN2-PHENYL-4H-CHROMEN-4-ONEA2G0L0.77
EAAETHACRYNIC ACIDA,B3DGQ0.76
EAAETHACRYNIC ACIDA,B11GS0.76
EAAETHACRYNIC ACIDA,B,C,D1GSF0.76
EAAETHACRYNIC ACIDA,B2GSS0.76
EAAETHACRYNIC ACIDA,B3GSS0.76
EAAETHACRYNIC ACIDA,B1GSE0.76
GRR(2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acidA3CDS0.71
IH5[4-(4-HYDROXY-3-ISOPROPYLPHENOXY)-
3,5-DIMETHYLPHENYL]ACETIC ACID
A1NAV0.76
IH5[4-(4-HYDROXY-3-ISOPROPYLPHENOXY)-
3,5-DIMETHYLPHENYL]ACETIC ACID
A1NAX0.76
1744-CHLORO-BENZOIC ACIDX3DLP0.73
1744-CHLORO-BENZOIC ACIDX1T5D0.73
AI73-(heptyloxy)benzoic acidA,B2O3Z0.76
C177-[(3-CHLOROBENZYL)OXY]-2-OXO-2H-
CHROMENE-4-CARBALDEHYDE
A,B2V600.78
COUCOUMARINA3CRB0.76
COUCOUMARINA2PMJ0.76
COUCOUMARINA2H900.76
COUCOUMARINA,B,C,D1Z100.76
COUCOUMARINA2PWB0.76
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
A185-(2-CHLOROBENZYL)-2-FUROIC ACIDA2Q960.78
T4AC,D1KGI0.72
T4AA,B1Z7J0.72
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
4HC4-HYDROXY-2H-CHROMEN-2-ONEA,B1V5Y0.72
ZZ14-METHYL-2H-CHROMEN-2-ONEA2CIP0.74
34C(3-CHLORO-4-PROPOXY-PHENYL)-ACETIC ACIDA,B1HT80.78
AIN2-(ACETYLOXY)BENZOIC ACIDA3GCL0.77
AIN2-(ACETYLOXY)BENZOIC ACIDA2QQT0.77
AIN2-(ACETYLOXY)BENZOIC ACIDA1TGM0.77
AIN2-(ACETYLOXY)BENZOIC ACIDA2G5J0.77
AIN2-(ACETYLOXY)BENZOIC ACIDA1OXR0.77
AIN2-(ACETYLOXY)BENZOIC ACIDA3HWY0.77
BZFBENZOFURANA182L0.73
CHB3-CHLORO-4-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCH0.73
34Z3,4-dichlorobenzoateX2QVY0.72
34Z3,4-dichlorobenzoateX2QW00.72
FCD5-(2-CHLOROPHENYL)FURAN-2-CARBOXYLIC ACIDA1XNZ0.79