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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01231001

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,D3E5U0.77
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B3E6B0.77
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D3E5X0.77
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B2H6B0.77
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDC3E6C0.77
3CAA,B2B770.78
NP4(5Z)-12-CHLORO-13,15-DIHYDROXY-
4,7,8,9-TETRAHYDRO-2-BENZOXACYCLOTRIDECINE-
1,10(3H,11H)-DIONE
A2IWS0.75
MPB4-HYDROXY-BENZOIC ACID METHYL ESTERB,C,D2VK00.72
MPB4-HYDROXY-BENZOIC ACID METHYL ESTERA,B,D3MTH0.72
FC25-(2,5-DICHLOROPHENYL)-2-FUROIC ACIDA2EVM0.72
P2N(5Z)-13-CHLORO-14,16-DIHYDROXY-
3,4,7,8,9,10-HEXAHYDRO-1H-2-BENZOXACYCLOTETRADECINE-
1,11(12H)-DIONE
A2CGF0.75
AIN2-(ACETYLOXY)BENZOIC ACIDA3GCL0.8
AIN2-(ACETYLOXY)BENZOIC ACIDA2QQT0.8
AIN2-(ACETYLOXY)BENZOIC ACIDA1TGM0.8
AIN2-(ACETYLOXY)BENZOIC ACIDA2G5J0.8
AIN2-(ACETYLOXY)BENZOIC ACIDA1OXR0.8
AIN2-(ACETYLOXY)BENZOIC ACIDA3HWY0.8
34C(3-CHLORO-4-PROPOXY-PHENYL)-ACETIC ACIDA,B1HT80.82
TOM4-(2-METHOXYPHENYL)-2-OXOBUT-3-
ENOIC ACID
A2IMF0.72
VII2,5-DIPHENYLFURAN-3,4-DICARBOXYLIC ACIDA,B2GFK0.7
GRE2,6-DIHYDROXYBENZOIC ACIDA,B,C,D2DVU0.72
VNL4-HYDROXY-3-METHOXYBENZOATEA,B,C,D2AHC0.7
VNL4-HYDROXY-3-METHOXYBENZOATEA1XLR0.7
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
3BZ3-chlorobenzoateX2QVZ0.74
3BZ3-chlorobenzoateX2QVX0.74
BVL(2E)-1-[2-hydroxy-4-methoxy-5-(3-
methylbut-2-en-1-yl)phenyl]-3-(4-
hydroxyphenyl)prop-2-en-1-one
A2ZBH0.71
RDCRADICICOLA,B2Q8I0.75
RDCRADICICOLA,B1U0Z0.75
RDCRADICICOLA1BGQ0.75
RDCRADICICOLB,D,F,H2ZBK0.75
RDCRADICICOLA2HKJ0.75
RDCRADICICOLA,B,C3CGY0.75
RDCRADICICOLA,B2WER0.75
1744-CHLORO-BENZOIC ACIDX3DLP0.73
1744-CHLORO-BENZOIC ACIDX1T5D0.73
DIU2-HYDROXY-3,5-DIIODO-BENZOIC ACIDA,B3B560.74
DIU2-HYDROXY-3,5-DIIODO-BENZOIC ACIDA2BXL0.74
NP5(5E)-12-CHLORO-13,15-DIHYDROXY-
4,7,8,9-TETRAHYDRO-2-BENZOXACYCLOTRIDECINE-
1,10(3H,11H)-DIONE
A2IWU0.75
YRG(2S)-2-(4-chlorophenoxy)-3-phenylpropanoic acidA3CDP0.73
34Z3,4-dichlorobenzoateX2QVY0.73
34Z3,4-dichlorobenzoateX2QW00.73
AI73-(heptyloxy)benzoic acidA,B2O3Z0.74
SYRSYRINGATEA,B1WB50.7
C2U3,5-dichloro-2-hydroxybenzoic acidA3C3U0.9
C2U3,5-dichloro-2-hydroxybenzoic acidA3CV70.9
SAL2-HYDROXYBENZOIC ACIDA2I2Z0.76
SAL2-HYDROXYBENZOIC ACIDA,B,C1FIQ0.76
SAL2-HYDROXYBENZOIC ACIDA2I300.76
SAL2-HYDROXYBENZOIC ACIDA,B1PTH0.76
SAL2-HYDROXYBENZOIC ACIDA,B3DEU0.76
SAL2-HYDROXYBENZOIC ACIDA,B,C,D2E1Q0.76
SAL2-HYDROXYBENZOIC ACIDA,B3HGX0.76
SAL2-HYDROXYBENZOIC ACIDA,B3BPX0.76
SAL2-HYDROXYBENZOIC ACIDA1WYG0.76
SAL2-HYDROXYBENZOIC ACIDA1JGS0.76
SAL2-HYDROXYBENZOIC ACIDX1M6E0.76
SAL2-HYDROXYBENZOIC ACIDA3B9M0.76
SAL2-HYDROXYBENZOIC ACIDA,B1FO40.76
SAL2-HYDROXYBENZOIC ACIDA,B1Y7I0.76
SAL2-HYDROXYBENZOIC ACIDA,B2FN10.76
CHB3-CHLORO-4-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCH0.78
A185-(2-CHLOROBENZYL)-2-FUROIC ACIDA2Q960.72
FCD5-(2-CHLOROPHENYL)FURAN-2-CARBOXYLIC ACIDA1XNZ0.71
M1S(5E)-14-CHLORO-15,17-DIHYDROXY-
4,7,8,9,10,11-HEXAHYDRO-2-BENZOXACYCLOPENTADECINE-
1,12(3H,13H)-DIONE
A2IWX0.75
DBH2,3-DIHYDROXY-BENZOIC ACIDA,B,C3CMP0.7
DBH2,3-DIHYDROXY-BENZOIC ACIDA1MD90.7
DBH2,3-DIHYDROXY-BENZOIC ACIDA1MDB0.7
DBH2,3-DIHYDROXY-BENZOIC ACIDA,B,C1L6M0.7
DBH2,3-DIHYDROXY-BENZOIC ACIDA,B,C3BY00.7
IH5[4-(4-HYDROXY-3-ISOPROPYLPHENOXY)-
3,5-DIMETHYLPHENYL]ACETIC ACID
A1NAV0.77
IH5[4-(4-HYDROXY-3-ISOPROPYLPHENOXY)-
3,5-DIMETHYLPHENYL]ACETIC ACID
A1NAX0.77
B215-(2-METHOXYPHENYL)-2-FUROIC ACIDA2Q930.71
ANN4-METHOXYBENZOIC ACIDA2B960.76
ANN4-METHOXYBENZOIC ACIDA2QUE0.76
ANN4-METHOXYBENZOIC ACIDA1SV30.76
ANN4-METHOXYBENZOIC ACIDA1O2E0.76
ANN4-METHOXYBENZOIC ACIDA,B,C,D3CBI0.76
DOB2,4-DIHYDROXYBENZOIC ACIDA1DOD0.71
DOB2,4-DIHYDROXYBENZOIC ACIDA1DOE0.71
DOB2,4-DIHYDROXYBENZOIC ACIDA1PBB0.71
L1O4-(2-aminoethoxy)-3,5-dichlorobenzoic acidA2VIO0.79
C177-[(3-CHLOROBENZYL)OXY]-2-OXO-2H-
CHROMENE-4-CARBALDEHYDE
A,B2V600.71