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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02904114

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 ACIDA2Q960.76
DDC7-HYDROXY-2-PHENYL-CHROMAN-4-ONEA,B1FM80.71
U034-HYDROXY-7-METHOXY-3-(1-PHENYL-
PROPYL)-CHROMEN-2-ONE
A3UPJ0.7
OHP(2-HYDROXYPHENYL)ACETIC ACIDA2INZ0.71
VNL4-HYDROXY-3-METHOXYBENZOATEA,B,C,D2AHC0.73
VNL4-HYDROXY-3-METHOXYBENZOATEA1XLR0.73
34D3,5-DIHYDROXYBENZOATEA,B2BX70.7
SWFS-WARFARINA,B1OG50.71
NP4(5Z)-12-CHLORO-13,15-DIHYDROXY-
4,7,8,9-TETRAHYDRO-2-BENZOXACYCLOTRIDECINE-
1,10(3H,11H)-DIONE
A2IWS0.75
V554-hydroxy-3-methoxybenzaldehydeB,D,E,F2VSS0.71
V554-hydroxy-3-methoxybenzaldehydeA,B,D,E,F2VSU0.71
34C(3-CHLORO-4-PROPOXY-PHENYL)-ACETIC ACIDA,B1HT80.8
FHB3-FLUORO-4-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCF0.7
3HB3-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCB0.72
3HB3-HYDROXYBENZOIC ACIDA2DKH0.72
B215-(2-METHOXYPHENYL)-2-FUROIC ACIDA2Q930.74
VXXVANILLATEA,B1WB60.72
C177-[(3-CHLOROBENZYL)OXY]-2-OXO-2H-
CHROMENE-4-CARBALDEHYDE
A,B2V600.73
YZ97-HYDROXY-2-OXO-CHROMENE-3-CARBOXYLIC ACID ETHYL ESTERA,B,C1GCZ0.71
P2N(5Z)-13-CHLORO-14,16-DIHYDROXY-
3,4,7,8,9,10-HEXAHYDRO-1H-2-BENZOXACYCLOTETRADECINE-
1,11(12H)-DIONE
A2CGF0.75
MPP3-(3,4-DIMETHOXYPHENYL)PROPIONIC ACIDA,B2AY30.73
DFV7-HYDROXY-2-(4-HYDROXY-PHENYL)-
CHROMAN-4-ONE
B,C1JX10.71
DFV7-HYDROXY-2-(4-HYDROXY-PHENYL)-
CHROMAN-4-ONE
A,B1JX00.71
DFV7-HYDROXY-2-(4-HYDROXY-PHENYL)-
CHROMAN-4-ONE
A,B1FM70.71
HMY(1aR,8S,13S,14S,15aR)-5,13,14-trihydroxy-
3-methoxy-8-methyl-8,9,13,14,15,15a-
hexahydro-6H-oxireno[k][2]benzoxacyclotetradecine-
6,12(1aH)-dione
A,B3C9W0.7
1FL5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-
BENZOIC ACID
A,B2BXE0.72
1FL5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-
BENZOIC ACID
A,B3D2T0.72
CHB3-CHLORO-4-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCH0.76
NARNARINGENINA,B2UXU0.71
NARNARINGENINA2BRT0.71
NARNARINGENINA1CGK0.71
NARNARINGENINA,B1EYQ0.71
DOB2,4-DIHYDROXYBENZOIC ACIDA1DOD0.75
DOB2,4-DIHYDROXYBENZOIC ACIDA1DOE0.75
DOB2,4-DIHYDROXYBENZOIC ACIDA1PBB0.75
HPPHYDROXYPHENYL PROPIONIC ACIDA,B2TPL0.7
HPPHYDROXYPHENYL PROPIONIC ACIDA,B,C,D3GGP0.7
KMP3,5,7-TRIHYDROXY-2-(4-HYDROXYPHENYL)-
4H-CHROMEN-4-ONE
A,B,C,D1H1M0.71
KMP3,5,7-TRIHYDROXY-2-(4-HYDROXYPHENYL)-
4H-CHROMEN-4-ONE
A2C1Z0.71
FLN2-PHENYL-4H-CHROMEN-4-ONEA2G0L0.72
TOM4-(2-METHOXYPHENYL)-2-OXOBUT-3-
ENOIC ACID
A2IMF0.75
GRE2,6-DIHYDROXYBENZOIC ACIDA,B,C,D2DVU0.77
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
RDCRADICICOLA,B2Q8I0.74
RDCRADICICOLA,B1U0Z0.74
RDCRADICICOLA1BGQ0.74
RDCRADICICOLB,D,F,H2ZBK0.74
RDCRADICICOLA2HKJ0.74
RDCRADICICOLA,B,C3CGY0.74
RDCRADICICOLA,B2WER0.74
FC25-(2,5-DICHLOROPHENYL)-2-FUROIC ACIDA2EVM0.75
YRG(2S)-2-(4-chlorophenoxy)-3-phenylpropanoic acidA3CDP0.76
DIU2-HYDROXY-3,5-DIIODO-BENZOIC ACIDA,B3B560.75
DIU2-HYDROXY-3,5-DIIODO-BENZOIC ACIDA2BXL0.75
FRR(3R,5Z,8S,9S,11E)-8,9,16-TRIHYDROXY-
14-METHOXY-3-METHYL-3,4,9,10-TETRAHYDRO-
1H-2-BENZOXACYCLOTETRADECINE-1,7(8H)-
DIONE
A2E140.73
DBFDIBENZOFURAN-4,6-DICARBOXYLIC ACIDB1DVU0.71
NCZ2-HYDROXY-7-METHOXY-5-METHYL-NAPHTHALENE-
1-CARBOXYLIC ACID MESO-2,5-DIHYDROXY-
CYCLOPENT-3-ENYL ESTER
A1J5I0.7
SDN[(3S)-9-hydroxy-1-methyl-10-oxo-
4,10-dihydro-3H-benzo[g]isochromen-
3-yl]acetic acid
A,B3B6C0.71
2PB2-[(DIOXIDOPHOSPHINO)OXY]BENZOATEA1SDE0.73
3BZ3-chlorobenzoateX2QVZ0.75
3BZ3-chlorobenzoateX2QVX0.75
SAK(2S)-5-hydroxy-2-(4-hydroxyphenyl)-
7-methoxy-2,3-dihydro-4H-chromen-
4-one
A,B,C,D,E,F3D040.71
L1O4-(2-aminoethoxy)-3,5-dichlorobenzoic acidA2VIO0.72
FCD5-(2-CHLOROPHENYL)FURAN-2-CARBOXYLIC ACIDA1XNZ0.77
1744-CHLORO-BENZOIC ACIDX3DLP0.75
1744-CHLORO-BENZOIC ACIDX1T5D0.75
MGImethyl 4-(2,3-dihydroxy-5-methylphenoxy)-
2-hydroxy-6-methylbenzoate
A2ZA00.71
IHB3-IODO-4-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCI0.7
3002-FORMYL-6-METHOXYPHENYL DIHYDROGEN PHOSPHATEA1O410.71
VII2,5-DIPHENYLFURAN-3,4-DICARBOXYLIC ACIDA,B2GFK0.72
NP5(5E)-12-CHLORO-13,15-DIHYDROXY-
4,7,8,9-TETRAHYDRO-2-BENZOXACYCLOTRIDECINE-
1,10(3H,11H)-DIONE
A2IWU0.75
DBH2,3-DIHYDROXY-BENZOIC ACIDA,B,C3CMP0.73
DBH2,3-DIHYDROXY-BENZOIC ACIDA1MD90.73
DBH2,3-DIHYDROXY-BENZOIC ACIDA1MDB0.73
DBH2,3-DIHYDROXY-BENZOIC ACIDA,B,C1L6M0.73
DBH2,3-DIHYDROXY-BENZOIC ACIDA,B,C3BY00.73
QSO5,7-dihydroxy-3-(4-methoxyphenyl)-
4H-chromen-4-one
A,B2QYO0.72
SYRSYRINGATEA,B1WB50.72
BIK3,7-DIHYDROXY-2-NAPHTHOIC ACIDA1U5A0.7
BIK3,7-DIHYDROXY-2-NAPHTHOIC ACIDA1U5C0.7
AIN2-(ACETYLOXY)BENZOIC ACIDA3GCL0.84
AIN2-(ACETYLOXY)BENZOIC ACIDA2QQT0.84
AIN2-(ACETYLOXY)BENZOIC ACIDA1TGM0.84
AIN2-(ACETYLOXY)BENZOIC ACIDA2G5J0.84
AIN2-(ACETYLOXY)BENZOIC ACIDA1OXR0.84
AIN2-(ACETYLOXY)BENZOIC ACIDA3HWY0.84
4MU7-hydroxy-4-methyl-2H-chromen-2-
one
A,B3ETS0.7
BVL(2E)-1-[2-hydroxy-4-methoxy-5-(3-
methylbut-2-en-1-yl)phenyl]-3-(4-
hydroxyphenyl)prop-2-en-1-one
A2ZBH0.74
4HP4-HYDROXYPHENYLACETATEA,B,C,D2JBT0.71
4HP4-HYDROXYPHENYLACETATEA2YYJ0.71
4HP4-HYDROXYPHENYLACETATEA2YYM0.71
4HP4-HYDROXYPHENYLACETATEB1AI60.71
4HP4-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCG0.71
DFL2-(4-HYDROXY-PHENYL)-CHROMAN-4-
ONE
A,B1JEP0.72
MPB4-HYDROXY-BENZOIC ACID METHYL ESTERB,C,D2VK00.76
MPB4-HYDROXY-BENZOIC ACID METHYL ESTERA,B,D3MTH0.76
FHIA,B1Y1D0.7
AGI5,7-dihydroxy-2-(4-hydroxyphenyl)-
4H-chromen-4-one
A,B,C,D,E,F3CF90.72
ANN4-METHOXYBENZOIC ACIDA2B960.8
ANN4-METHOXYBENZOIC ACIDA2QUE0.8
ANN4-METHOXYBENZOIC ACIDA1SV30.8
ANN4-METHOXYBENZOIC ACIDA1O2E0.8
ANN4-METHOXYBENZOIC ACIDA,B,C,D3CBI0.8
IH5[4-(4-HYDROXY-3-ISOPROPYLPHENOXY)-
3,5-DIMETHYLPHENYL]ACETIC ACID
A1NAV0.73
IH5[4-(4-HYDROXY-3-ISOPROPYLPHENOXY)-
3,5-DIMETHYLPHENYL]ACETIC ACID
A1NAX0.73
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D3E5U0.76
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B3E6B0.76
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D3E5X0.76
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B2H6B0.76
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDC3E6C0.76
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A2PIT0.7
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A1NQ10.7
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A2PIU0.7
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A2PKL0.7
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A,B3D570.7
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A1NQ20.7
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A2QPY0.7
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A1NQ00.7
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A1NUO0.7
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A,B2PIN0.7
RWFR-WARFARINA,B2BXD0.71
L41{4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenoxy}acetic acidA,B3D5F0.71
GENGENISTEINA1QKM0.72
GENGENISTEINA,B1X7J0.72
GENGENISTEINA,B2QA80.72
GENGENISTEINA1X7R0.72
DIC3,4-DICHLOROISOCOUMARINA1DIC0.71
M1S(5E)-14-CHLORO-15,17-DIHYDROXY-
4,7,8,9,10,11-HEXAHYDRO-2-BENZOXACYCLOPENTADECINE-
1,12(3H,13H)-DIONE
A2IWX0.75
3CAA,B2B770.8
A045-[2-(TRIFLUOROMETHOXY)PHENYL]-
2-FUROIC ACID
A2Q940.72
HMO4'-HYDROXY-7-METHOXYISOFLAVONEA1FP20.72
NPS(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acidA2VDB0.7
34Z3,4-dichlorobenzoateX2QVY0.72
34Z3,4-dichlorobenzoateX2QW00.72
C2U3,5-dichloro-2-hydroxybenzoic acidA3C3U0.81
C2U3,5-dichloro-2-hydroxybenzoic acidA3CV70.81
AI73-(heptyloxy)benzoic acidA,B2O3Z0.78
4HC4-HYDROXY-2H-CHROMEN-2-ONEA,B1V5Y0.74
PHBP-HYDROXYBENZOIC ACIDA1CJ40.72
PHBP-HYDROXYBENZOIC ACIDA1DOB0.72
PHBP-HYDROXYBENZOIC ACIDA1PXB0.72
PHBP-HYDROXYBENZOIC ACIDA,B1G1B0.72
PHBP-HYDROXYBENZOIC ACIDA,B1YKJ0.72
PHBP-HYDROXYBENZOIC ACIDA1IUV0.72
PHBP-HYDROXYBENZOIC ACIDA1PBE0.72
PHBP-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCC0.72
PHBP-HYDROXYBENZOIC ACIDA1PDH0.72
PHBP-HYDROXYBENZOIC ACIDB2BUW0.72
PHBP-HYDROXYBENZOIC ACIDA1CC40.72
PHBP-HYDROXYBENZOIC ACIDA1CC60.72
PHBP-HYDROXYBENZOIC ACIDA1IUW0.72
PHBP-HYDROXYBENZOIC ACIDA1FW90.72
PHBP-HYDROXYBENZOIC ACIDA1G810.72
PHBP-HYDROXYBENZOIC ACIDA1BGJ0.72
PHBP-HYDROXYBENZOIC ACIDA1IUX0.72
PHBP-HYDROXYBENZOIC ACIDA1CJ30.72
PHBP-HYDROXYBENZOIC ACIDA1D7L0.72
PHBP-HYDROXYBENZOIC ACIDA2PHH0.72
PHBP-HYDROXYBENZOIC ACIDA1BGN0.72
PHBP-HYDROXYBENZOIC ACIDA1PXA0.72
PHBP-HYDROXYBENZOIC ACIDA1DOC0.72
PHBP-HYDROXYBENZOIC ACIDA1K0I0.72
PHBP-HYDROXYBENZOIC ACIDA1BKW0.72
PHBP-HYDROXYBENZOIC ACIDA1JD30.72
PHBP-HYDROXYBENZOIC ACIDA1PXC0.72
PHBP-HYDROXYBENZOIC ACIDA1TT80.72
PHBP-HYDROXYBENZOIC ACIDA1CJ20.72
PHBP-HYDROXYBENZOIC ACIDA,B1Q4S0.72
PHBP-HYDROXYBENZOIC ACIDA1BF30.72
PHBP-HYDROXYBENZOIC ACIDB2BUR0.72
SAL2-HYDROXYBENZOIC ACIDA2I2Z0.8
SAL2-HYDROXYBENZOIC ACIDA,B,C1FIQ0.8
SAL2-HYDROXYBENZOIC ACIDA2I300.8
SAL2-HYDROXYBENZOIC ACIDA,B1PTH0.8
SAL2-HYDROXYBENZOIC ACIDA,B3DEU0.8
SAL2-HYDROXYBENZOIC ACIDA,B,C,D2E1Q0.8
SAL2-HYDROXYBENZOIC ACIDA,B3HGX0.8
SAL2-HYDROXYBENZOIC ACIDA,B3BPX0.8
SAL2-HYDROXYBENZOIC ACIDA1WYG0.8
SAL2-HYDROXYBENZOIC ACIDA1JGS0.8
SAL2-HYDROXYBENZOIC ACIDX1M6E0.8
SAL2-HYDROXYBENZOIC ACIDA3B9M0.8
SAL2-HYDROXYBENZOIC ACIDA,B1FO40.8
SAL2-HYDROXYBENZOIC ACIDA,B1Y7I0.8
SAL2-HYDROXYBENZOIC ACIDA,B2FN10.8