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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00020644

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
HPPHYDROXYPHENYL PROPIONIC ACIDA,B2TPL0.72
HPPHYDROXYPHENYL PROPIONIC ACIDA,B,C,D3GGP0.72
JUG5-hydroxynaphthalene-1,4-dioneA,B,C,D,E,F3B7J0.71
DBEbis(4-hydroxyphenyl)methanoneA2VKU0.79
HBAP-HYDROXYBENZALDEHYDEA1K030.78
HBAP-HYDROXYBENZALDEHYDEA,B2VQ50.78
HBAP-HYDROXYBENZALDEHYDEA,B1EB90.78
HBAP-HYDROXYBENZALDEHYDEA2GQ90.78
HBAP-HYDROXYBENZALDEHYDEA,B1Z420.78
HBAP-HYDROXYBENZALDEHYDEA1OYB0.78
IHB3-IODO-4-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCI0.74
DTCBISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2-
BENZOPYRONE]
A2Z9C0.72
DTCBISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2-
BENZOPYRONE]
A,B1OOQ0.72
DTCBISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2-
BENZOPYRONE]
A,B,C,D,E,F,
G,H
2F1O0.72
3HP3-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCE0.71
ZHZ2-(4-METHOXYPHENYL)ACETAMIDED,H2HKR0.78
3HB3-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCB0.72
3HB3-HYDROXYBENZOIC ACIDA2DKH0.72
ANN4-METHOXYBENZOIC ACIDA2B960.84
ANN4-METHOXYBENZOIC ACIDA2QUE0.84
ANN4-METHOXYBENZOIC ACIDA1SV30.84
ANN4-METHOXYBENZOIC ACIDA1O2E0.84
ANN4-METHOXYBENZOIC ACIDA,B,C,D3CBI0.84
4FE(2E)-3-(3-hydroxy-4-methoxyphenyl)prop-
2-enoic acid
A3CBG0.71
ENO3-(4-HYDROXY-PHENYL)PYRUVIC ACIDH,I1A2C0.72
ENO3-(4-HYDROXY-PHENYL)PYRUVIC ACIDA,B,C1CA70.72
ENO3-(4-HYDROXY-PHENYL)PYRUVIC ACIDA,B,C,D3GGO0.72
MPP3-(3,4-DIMETHOXYPHENYL)PROPIONIC ACIDA,B2AY30.75
FHB3-FLUORO-4-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCF0.77
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A,C,E1KYZ0.71
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A1JT20.71
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A6ATJ0.71
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A,B1GKL0.71
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A1GWT0.71
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A,B,C2BJH0.71
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A1GW20.71
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A3CBG0.71
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A2BNJ0.71
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A,B1UWC0.71
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A7ATJ0.71
V554-hydroxy-3-methoxybenzaldehydeB,D,E,F2VSS0.79
V554-hydroxy-3-methoxybenzaldehydeA,B,D,E,F2VSU0.79
DHB3,4-DIHYDROXYBENZOIC ACIDB2BV00.7
DHB3,4-DIHYDROXYBENZOIC ACIDA,B,D,F,H,J,L1YKP0.7
DHB3,4-DIHYDROXYBENZOIC ACIDA1N8Q0.7
DHB3,4-DIHYDROXYBENZOIC ACIDA,B2BSL0.7
DHB3,4-DIHYDROXYBENZOIC ACIDB,D,F,H,J,L1YKL0.7
DHB3,4-DIHYDROXYBENZOIC ACIDB,D1B4U0.7
DHB3,4-DIHYDROXYBENZOIC ACIDA3DX50.7
DHB3,4-DIHYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCA0.7
DHB3,4-DIHYDROXYBENZOIC ACIDB,D,F,H,J,L1YKN0.7
DHB3,4-DIHYDROXYBENZOIC ACIDB1EOB0.7
DHB3,4-DIHYDROXYBENZOIC ACIDA1PHH0.7
DHB3,4-DIHYDROXYBENZOIC ACIDB2BUV0.7
NARNARINGENINA,B2UXU0.71
NARNARINGENINA2BRT0.71
NARNARINGENINA1CGK0.71
NARNARINGENINA,B1EYQ0.71
FC35-[2-(TRIFLUOROMETHYL)PHENYL]-2-
FUROIC ACID
A2EVC0.75
2PB2-[(DIOXIDOPHOSPHINO)OXY]BENZOATEA1SDE0.7
3972-(4-HYDROXY-PHENYL)BENZOFURAN-
5-OL
A,B1U9E0.71
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A2PIT0.71
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A1NQ10.71
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A2PIU0.71
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A2PKL0.71
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A,B3D570.71
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A1NQ20.71
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A2QPY0.71
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A1NQ00.71
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A1NUO0.71
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A,B2PIN0.71
PHBP-HYDROXYBENZOIC ACIDA1CJ40.76
PHBP-HYDROXYBENZOIC ACIDA1DOB0.76
PHBP-HYDROXYBENZOIC ACIDA1PXB0.76
PHBP-HYDROXYBENZOIC ACIDA,B1G1B0.76
PHBP-HYDROXYBENZOIC ACIDA,B1YKJ0.76
PHBP-HYDROXYBENZOIC ACIDA1IUV0.76
PHBP-HYDROXYBENZOIC ACIDA1PBE0.76
PHBP-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCC0.76
PHBP-HYDROXYBENZOIC ACIDA1PDH0.76
PHBP-HYDROXYBENZOIC ACIDB2BUW0.76
PHBP-HYDROXYBENZOIC ACIDA1CC40.76
PHBP-HYDROXYBENZOIC ACIDA1CC60.76
PHBP-HYDROXYBENZOIC ACIDA1IUW0.76
PHBP-HYDROXYBENZOIC ACIDA1FW90.76
PHBP-HYDROXYBENZOIC ACIDA1G810.76
PHBP-HYDROXYBENZOIC ACIDA1BGJ0.76
PHBP-HYDROXYBENZOIC ACIDA1IUX0.76
PHBP-HYDROXYBENZOIC ACIDA1CJ30.76
PHBP-HYDROXYBENZOIC ACIDA1D7L0.76
PHBP-HYDROXYBENZOIC ACIDA2PHH0.76
PHBP-HYDROXYBENZOIC ACIDA1BGN0.76
PHBP-HYDROXYBENZOIC ACIDA1PXA0.76
PHBP-HYDROXYBENZOIC ACIDA1DOC0.76
PHBP-HYDROXYBENZOIC ACIDA1K0I0.76
PHBP-HYDROXYBENZOIC ACIDA1BKW0.76
PHBP-HYDROXYBENZOIC ACIDA1JD30.76
PHBP-HYDROXYBENZOIC ACIDA1PXC0.76
PHBP-HYDROXYBENZOIC ACIDA1TT80.76
PHBP-HYDROXYBENZOIC ACIDA1CJ20.76
PHBP-HYDROXYBENZOIC ACIDA,B1Q4S0.76
PHBP-HYDROXYBENZOIC ACIDA1BF30.76
PHBP-HYDROXYBENZOIC ACIDB2BUR0.76
G503-(4-HYDROXYPHENYL)-1-(2,4,6-TRIHYDROXYPHENYL)PROPAN-
1-ONE
A,B2UXI0.71
HBD4-HYDROXYBENZAMIDEB,C,D1BEN0.71
OACTRANS-O-HYDROXY-ALPHA-METHYL CINNAMATEC3GCH0.7
BVL(2E)-1-[2-hydroxy-4-methoxy-5-(3-
methylbut-2-en-1-yl)phenyl]-3-(4-
hydroxyphenyl)prop-2-en-1-one
A2ZBH0.76
VXXVANILLATEA,B1WB60.75
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
BEK2,3,5,6-TETRAFLUORO-4-METHOXY-BENZAMIDEA1KJR0.76
R71[4-({6-[ALLYL(METHYL)AMINO]HEXYL}OXY)-
2-FLUOROPHENYL](4-BROMOPHENYL)METHANONE
A1W6J0.72
R71[4-({6-[ALLYL(METHYL)AMINO]HEXYL}OXY)-
2-FLUOROPHENYL](4-BROMOPHENYL)METHANONE
A,B,C1GSZ0.72
4HP4-HYDROXYPHENYLACETATEA,B,C,D2JBT0.73
4HP4-HYDROXYPHENYLACETATEA2YYJ0.73
4HP4-HYDROXYPHENYLACETATEA2YYM0.73
4HP4-HYDROXYPHENYLACETATEB1AI60.73
4HP4-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCG0.73
296(3R)-3-amino-2,2-difluoro-3-(4-
methoxyphenyl)propanoic acid
A,B2RJS0.71
KMP3,5,7-TRIHYDROXY-2-(4-HYDROXYPHENYL)-
4H-CHROMEN-4-ONE
A,B,C,D1H1M0.72
KMP3,5,7-TRIHYDROXY-2-(4-HYDROXYPHENYL)-
4H-CHROMEN-4-ONE
A2C1Z0.72
TOM4-(2-METHOXYPHENYL)-2-OXOBUT-3-
ENOIC ACID
A2IMF0.76
3MB3-METHOXYBENZAMIDEA3PAX0.77
DFV7-HYDROXY-2-(4-HYDROXY-PHENYL)-
CHROMAN-4-ONE
B,C1JX10.72
DFV7-HYDROXY-2-(4-HYDROXY-PHENYL)-
CHROMAN-4-ONE
A,B1JX00.72
DFV7-HYDROXY-2-(4-HYDROXY-PHENYL)-
CHROMAN-4-ONE
A,B1FM70.72
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A2OPA0.72
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A,B,C1MFI0.72
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A,B1GYY0.72
1FL5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-
BENZOIC ACID
A,B2BXE0.71
1FL5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-
BENZOIC ACID
A,B3D2T0.71
MPB4-HYDROXY-BENZOIC ACID METHYL ESTERB,C,D2VK00.79
MPB4-HYDROXY-BENZOIC ACID METHYL ESTERA,B,D3MTH0.79
SYRSYRINGATEA,B1WB50.72
GENGENISTEINA1QKM0.74
GENGENISTEINA,B1X7J0.74
GENGENISTEINA,B2QA80.74
GENGENISTEINA1X7R0.74
BHF2-PHENYL-4H-BENZO[H]CHROMEN-4-ONEA2HI40.71
AC6P-HYDROXYACETOPHENONEA2GQ80.83
AC6P-HYDROXYACETOPHENONEX2O480.83
HMO4'-HYDROXY-7-METHOXYISOFLAVONEA1FP20.74
4BR2-(4-METHYLPHENOXY)ETHYLPHOSPHINATEA1PE70.71
SAL2-HYDROXYBENZOIC ACIDA2I2Z0.71
SAL2-HYDROXYBENZOIC ACIDA,B,C1FIQ0.71
SAL2-HYDROXYBENZOIC ACIDA2I300.71
SAL2-HYDROXYBENZOIC ACIDA,B1PTH0.71
SAL2-HYDROXYBENZOIC ACIDA,B3DEU0.71
SAL2-HYDROXYBENZOIC ACIDA,B,C,D2E1Q0.71
SAL2-HYDROXYBENZOIC ACIDA,B3HGX0.71
SAL2-HYDROXYBENZOIC ACIDA,B3BPX0.71
SAL2-HYDROXYBENZOIC ACIDA1WYG0.71
SAL2-HYDROXYBENZOIC ACIDA1JGS0.71
SAL2-HYDROXYBENZOIC ACIDX1M6E0.71
SAL2-HYDROXYBENZOIC ACIDA3B9M0.71
SAL2-HYDROXYBENZOIC ACIDA,B1FO40.71
SAL2-HYDROXYBENZOIC ACIDA,B1Y7I0.71
SAL2-HYDROXYBENZOIC ACIDA,B2FN10.71
3002-FORMYL-6-METHOXYPHENYL DIHYDROGEN PHOSPHATEA1O410.73
HCC2',4,4'-TRIHYDROXYCHALCONED1FP10.73
COUCOUMARINA3CRB0.73
COUCOUMARINA2PMJ0.73
COUCOUMARINA2H900.73
COUCOUMARINA,B,C,D1Z100.73
COUCOUMARINA2PWB0.73
FLN2-PHENYL-4H-CHROMEN-4-ONEA2G0L0.8
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
A2E140.71
T4AC,D1KGI0.7
T4AA,B1Z7J0.7
BZFBENZOFURANA182L0.77
A045-[2-(TRIFLUOROMETHOXY)PHENYL]-
2-FUROIC ACID
A2Q940.73
4MP1-(4-METHOXYBENZOYL)-2-PYRROLIDINONEA,B2AL50.73
ZZ14-METHYL-2H-CHROMEN-2-ONEA2CIP0.74
34C(3-CHLORO-4-PROPOXY-PHENYL)-ACETIC ACIDA,B1HT80.7
DFL2-(4-HYDROXY-PHENYL)-CHROMAN-4-
ONE
A,B1JEP0.73
AI73-(heptyloxy)benzoic acidA,B2O3Z0.77
DDC7-HYDROXY-2-PHENYL-CHROMAN-4-ONEA,B1FM80.73
QSO5,7-dihydroxy-3-(4-methoxyphenyl)-
4H-chromen-4-one
A,B2QYO0.74
VNL4-HYDROXY-3-METHOXYBENZOATEA,B,C,D2AHC0.76
VNL4-HYDROXY-3-METHOXYBENZOATEA1XLR0.76
SAK(2S)-5-hydroxy-2-(4-hydroxyphenyl)-
7-methoxy-2,3-dihydro-4H-chromen-
4-one
A,B,C,D,E,F3D040.72
GRR(2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acidA3CDS0.7
NPS(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acidA2VDB0.72
DIC3,4-DICHLOROISOCOUMARINA1DIC0.71
AGI5,7-dihydroxy-2-(4-hydroxyphenyl)-
4H-chromen-4-one
A,B,C,D,E,F3CF90.73
R88(4-BROMOPHENYL)[4-({(2E)-4-[CYCLOPROPYL(METHYL)AMINO]BUT-
2-ENYL}OXY)PHENYL]METHANONE
A,B,C1H360.7
ZHH2-(4-METHOXYPHENYL)ETHANAMINED,H2HKR0.7
DOB2,4-DIHYDROXYBENZOIC ACIDA1DOD0.71
DOB2,4-DIHYDROXYBENZOIC ACIDA1DOE0.71
DOB2,4-DIHYDROXYBENZOIC ACIDA1PBB0.71
BZMBENZOIC ACID PHENYLMETHYLESTERA,B1DZM0.71
2622-FORMYLPHENYL DIHYDROGEN PHOSPHATEA1O4D0.7