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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01243431

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
SMASTIGMATELLIN AA,C,D,E,N,P,
Q,R
3H1I0.71
SMASTIGMATELLIN AA,B,C,D,E,F,
G,O,P,Q,R,S,T
1PPJ0.71
SMASTIGMATELLIN AA,C,D,E,L,N,
O,P,W
3CXH0.71
SMASTIGMATELLIN AC,D,E,P,Q,R1ZRT0.71
SMASTIGMATELLIN AC,H,L,M2JBL0.71
SMASTIGMATELLIN AA,B,C,D,E,F,
G,I,N,O,P,Q,
R,S,T,U,V,W
2A060.71
SMASTIGMATELLIN AA,B,C,D,E,F,
G,H,I,J,K,L
2QJP0.71
SMASTIGMATELLIN AA,C,D,E1KB90.71
SMASTIGMATELLIN AA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R
2QJK0.71
SMASTIGMATELLIN AA,B,C,D,E,F,
G,N,O,P,Q,R,
S,T
1PP90.71
SMASTIGMATELLIN AC,D,E2IBZ0.71
SMASTIGMATELLIN AA,C,D,E,L,N,
O,P,W
3CX50.71
SMASTIGMATELLIN AA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R
2FYN0.71
SMASTIGMATELLIN AA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R
2QJY0.71
SMASTIGMATELLIN AC,D,E1EZV0.71
SMASTIGMATELLIN AC,D,E,N,O,P,W1KYO0.71
SMASTIGMATELLIN AA,C,D,E,G,N,
P,Q,R,S
3H1J0.71
SMASTIGMATELLIN AC,D,E1SQX0.71
4HC4-HYDROXY-2H-CHROMEN-2-ONEA,B1V5Y0.71
WRS4-HYDROXY-3-[(1S,3S)-3-HYDROXY-
1-PHENYLBUTYL]-2H-CHROMEN-2-ONE
A1HA20.74
DDC7-HYDROXY-2-PHENYL-CHROMAN-4-ONEA,B1FM80.76
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
A2E140.72
FUX5-HYDROXYMETHYL-FURFURALA,B,C,D1QXE0.71
TON2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOLA,B1SEZ0.74
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
MPP3-(3,4-DIMETHOXYPHENYL)PROPIONIC ACIDA,B2AY30.74
PFI(6S)-6-CYCLOPENTYL-6-[2-(3-FLUORO-
4-ISOPROPOXYPHENYL)ETHYL]-4-HYDROXY-
5,6-DIHYDRO-2H-PYRAN-2-ONE
A2HAI0.73
DFL2-(4-HYDROXY-PHENYL)-CHROMAN-4-
ONE
A,B1JEP0.76
DR6ALPHA-[4-(1,1,3,3 - TETRAMETHYLBUTYL)PHENYL]-
OMEGA-HYDROXY-POLY(OXY-1,2-ETHANEDIYL)
C,I,T1YTZ0.71
VNL4-HYDROXY-3-METHOXYBENZOATEA,B,C,D2AHC0.75
VNL4-HYDROXY-3-METHOXYBENZOATEA1XLR0.75
WRR4-HYDROXY-3-[(1S,3R)-3-HYDROXY-
1-PHENYLBUTYL]-2H-CHROMEN-2-ONE
A1H9Z0.74
4BR2-(4-METHYLPHENOXY)ETHYLPHOSPHINATEA1PE70.77
4HP4-HYDROXYPHENYLACETATEA,B,C,D2JBT0.7
4HP4-HYDROXYPHENYLACETATEA2YYJ0.7
4HP4-HYDROXYPHENYLACETATEA2YYM0.7
4HP4-HYDROXYPHENYLACETATEB1AI60.7
4HP4-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCG0.7
3HB3-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCB0.7
3HB3-HYDROXYBENZOIC ACIDA2DKH0.7
AZ2(2S)-2-ETHOXY-3-[4-(2-{4-[(METHYLSULFONYL)OXY]PHENYL}ETHOXY)PHENYL]PROPANOIC ACIDA,B1I7I0.72
AZ2(2S)-2-ETHOXY-3-[4-(2-{4-[(METHYLSULFONYL)OXY]PHENYL}ETHOXY)PHENYL]PROPANOIC ACIDA1I7G0.72
YZ97-HYDROXY-2-OXO-CHROMENE-3-CARBOXYLIC ACID ETHYL ESTERA,B,C1GCZ0.71
R71[4-({6-[ALLYL(METHYL)AMINO]HEXYL}OXY)-
2-FLUOROPHENYL](4-BROMOPHENYL)METHANONE
A1W6J0.74
R71[4-({6-[ALLYL(METHYL)AMINO]HEXYL}OXY)-
2-FLUOROPHENYL](4-BROMOPHENYL)METHANONE
A,B,C1GSZ0.74
FHB3-FLUORO-4-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCF0.72
ZHZ2-(4-METHOXYPHENYL)ACETAMIDED,H2HKR0.77
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
B215-(2-METHOXYPHENYL)-2-FUROIC ACIDA2Q930.73
BZMBENZOIC ACID PHENYLMETHYLESTERA,B1DZM0.75
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
HOM7-HYDROXY-4-METHYL-3-(2-HYDROXY-
ETHYL)COUMARIN
C,D1CJF0.7
U034-HYDROXY-7-METHOXY-3-(1-PHENYL-
PROPYL)-CHROMEN-2-ONE
A3UPJ0.72
IHB3-IODO-4-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCI0.72
TOM4-(2-METHOXYPHENYL)-2-OXOBUT-3-
ENOIC ACID
A2IMF0.75
GRR(2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acidA3CDS0.76
DTCBISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2-
BENZOPYRONE]
A2Z9C0.74
DTCBISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2-
BENZOPYRONE]
A,B1OOQ0.74
DTCBISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2-
BENZOPYRONE]
A,B,C,D,E,F,
G,H
2F1O0.74
BZFBENZOFURANA182L0.8
PSNBENZYL 2-FORMYLPHENYL HYDROGEN PHOSPHATEA1O4K0.73
BEK2,3,5,6-TETRAFLUORO-4-METHOXY-BENZAMIDEA1KJR0.71
L41{4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenoxy}acetic acidA,B3D5F0.72
FC35-[2-(TRIFLUOROMETHYL)PHENYL]-2-
FUROIC ACID
A2EVC0.7
CA2(1S,3R,4R,5S)-1,3,4-TRIHYDROXY-
5-(3-PHENOXYPROPYL)CYCLOHEXANECARBOXYLIC ACID
A,B,C,D,E,F,
G,H,I,J,K,L
2BT40.71
TRTFRAGMENT OF TRITON X-100A,E2I0U0.75
TRTFRAGMENT OF TRITON X-100A,B1OIZ0.75
23A2,3-DIHYDROXYBENZALDEHYDEA,B,C,D2DVX0.7
RWFR-WARFARINA,B2BXD0.72
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
EAAETHACRYNIC ACIDA,B3DGQ0.73
EAAETHACRYNIC ACIDA,B11GS0.73
EAAETHACRYNIC ACIDA,B,C,D1GSF0.73
EAAETHACRYNIC ACIDA,B2GSS0.73
EAAETHACRYNIC ACIDA,B3GSS0.73
EAAETHACRYNIC ACIDA,B1GSE0.73
3972-(4-HYDROXY-PHENYL)BENZOFURAN-
5-OL
A,B1U9E0.72
OXNOXTOXYNOL-10A1IKT0.71
OXNOXTOXYNOL-10A,B2Q320.71
OXNOXTOXYNOL-10A,B1UEH0.71
OXNOXTOXYNOL-10A,B2D4Q0.71
3MB3-METHOXYBENZAMIDEA3PAX0.77
DBA(2,6-DIMETHYL-PHENOXY)-ACETIC ACIDA,B1IDB0.72
HMO4'-HYDROXY-7-METHOXYISOFLAVONEA1FP20.73
T4AC,D1KGI0.72
T4AA,B1Z7J0.72
R88(4-BROMOPHENYL)[4-({(2E)-4-[CYCLOPROPYL(METHYL)AMINO]BUT-
2-ENYL}OXY)PHENYL]METHANONE
A,B,C1H360.74
SAK(2S)-5-hydroxy-2-(4-hydroxyphenyl)-
7-methoxy-2,3-dihydro-4H-chromen-
4-one
A,B,C,D,E,F3D040.74
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
HBAP-HYDROXYBENZALDEHYDEA1K030.81
HBAP-HYDROXYBENZALDEHYDEA,B2VQ50.81
HBAP-HYDROXYBENZALDEHYDEA,B1EB90.81
HBAP-HYDROXYBENZALDEHYDEA2GQ90.81
HBAP-HYDROXYBENZALDEHYDEA,B1Z420.81
HBAP-HYDROXYBENZALDEHYDEA1OYB0.81
FDSFLUORESCINH4FAB0.7
BHF2-PHENYL-4H-BENZO[H]CHROMEN-4-ONEA2HI40.71
VXXVANILLATEA,B1WB60.76
BVL(2E)-1-[2-hydroxy-4-methoxy-5-(3-
methylbut-2-en-1-yl)phenyl]-3-(4-
hydroxyphenyl)prop-2-en-1-one
A2ZBH0.75
FLN2-PHENYL-4H-CHROMEN-4-ONEA2G0L0.8
2992,6-DIFORMYL-4-METHYLPHENYL DIHYDROGEN PHOSPHATEA1O4E0.73
2622-FORMYLPHENYL DIHYDROGEN PHOSPHATEA1O4D0.73
AI73-(heptyloxy)benzoic acidA,B2O3Z0.85
R02{4-[((1S,2S)-2-{[ALLYL(CYCLOPROPYL)AMINO]METHYL}CYCLOPROPYL)METHOXY]PHENYL}(4-
BROMOPHENYL)METHANONE
A,B,C1H370.71
COUCOUMARINA3CRB0.75
COUCOUMARINA2PMJ0.75
COUCOUMARINA2H900.75
COUCOUMARINA,B,C,D1Z100.75
COUCOUMARINA2PWB0.75
FU2FURFURALA,B,C,D1QXD0.74
SWFS-WARFARINA,B1OG50.72
PHBP-HYDROXYBENZOIC ACIDA1CJ40.74
PHBP-HYDROXYBENZOIC ACIDA1DOB0.74
PHBP-HYDROXYBENZOIC ACIDA1PXB0.74
PHBP-HYDROXYBENZOIC ACIDA,B1G1B0.74
PHBP-HYDROXYBENZOIC ACIDA,B1YKJ0.74
PHBP-HYDROXYBENZOIC ACIDA1IUV0.74
PHBP-HYDROXYBENZOIC ACIDA1PBE0.74
PHBP-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCC0.74
PHBP-HYDROXYBENZOIC ACIDA1PDH0.74
PHBP-HYDROXYBENZOIC ACIDB2BUW0.74
PHBP-HYDROXYBENZOIC ACIDA1CC40.74
PHBP-HYDROXYBENZOIC ACIDA1CC60.74
PHBP-HYDROXYBENZOIC ACIDA1IUW0.74
PHBP-HYDROXYBENZOIC ACIDA1FW90.74
PHBP-HYDROXYBENZOIC ACIDA1G810.74
PHBP-HYDROXYBENZOIC ACIDA1BGJ0.74
PHBP-HYDROXYBENZOIC ACIDA1IUX0.74
PHBP-HYDROXYBENZOIC ACIDA1CJ30.74
PHBP-HYDROXYBENZOIC ACIDA1D7L0.74
PHBP-HYDROXYBENZOIC ACIDA2PHH0.74
PHBP-HYDROXYBENZOIC ACIDA1BGN0.74
PHBP-HYDROXYBENZOIC ACIDA1PXA0.74
PHBP-HYDROXYBENZOIC ACIDA1DOC0.74
PHBP-HYDROXYBENZOIC ACIDA1K0I0.74
PHBP-HYDROXYBENZOIC ACIDA1BKW0.74
PHBP-HYDROXYBENZOIC ACIDA1JD30.74
PHBP-HYDROXYBENZOIC ACIDA1PXC0.74
PHBP-HYDROXYBENZOIC ACIDA1TT80.74
PHBP-HYDROXYBENZOIC ACIDA1CJ20.74
PHBP-HYDROXYBENZOIC ACIDA,B1Q4S0.74
PHBP-HYDROXYBENZOIC ACIDA1BF30.74
PHBP-HYDROXYBENZOIC ACIDB2BUR0.74
SB82-(3-BENZOYLPHENOXY)ETHYL(HYDROXY)FORMAMIDEA2AIA0.74
4MP1-(4-METHOXYBENZOYL)-2-PYRROLIDINONEA,B2AL50.73
EMFethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylateA,B2QZZ0.73
EMFethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylateA,B2R2G0.73
34C(3-CHLORO-4-PROPOXY-PHENYL)-ACETIC ACIDA,B1HT80.74
1NH(2E,6E)-8-[(3-BENZOYLBENZYL)OXY]-
3,7-DIMETHYLOCTA-2,6-DIENYL TRIHYDROGEN DIPHOSPHATE
B1O1S0.71
GENGENISTEINA1QKM0.73
GENGENISTEINA,B1X7J0.73
GENGENISTEINA,B2QA80.73
GENGENISTEINA1X7R0.73
3002-FORMYL-6-METHOXYPHENYL DIHYDROGEN PHOSPHATEA1O410.77
ERD(2S)-2-(3,4-DIHYDROXYPHENYL)-5,7-
DIHYDROXY-2,3-DIHYDRO-4H-CHROMEN-
4-ONE
D,F2NNL0.7
NARNARINGENINA,B2UXU0.74
NARNARINGENINA2BRT0.74
NARNARINGENINA1CGK0.74
NARNARINGENINA,B1EYQ0.74
BR3(6-METHYL-3,4-DIHYDRO-2H-CHROMEN-
2-YL)METHYLPHOSPHINATE
A1PE50.71
NPS(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acidA2VDB0.72
AC6P-HYDROXYACETOPHENONEA2GQ80.79
AC6P-HYDROXYACETOPHENONEX2O480.79
DBEbis(4-hydroxyphenyl)methanoneA2VKU0.75
V554-hydroxy-3-methoxybenzaldehydeB,D,E,F2VSS0.84
V554-hydroxy-3-methoxybenzaldehydeA,B,D,E,F2VSU0.84
LRG(2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acidA3B3K0.72
LRG(2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acidA3D6D0.72
SIGSTIGMATELLINC,D,E2BCC0.7
SIGSTIGMATELLINC,D,E3BCC0.7
ZZ14-METHYL-2H-CHROMEN-2-ONEA2CIP0.75
219CYCLOHEXYLMETHYL 2-FORMYLPHENYL HYDROGEN PHOSPHATEA1O4I0.75
2HI(2S,3R)-2,7-DIHYDROXY-3-(4-HYDROXYPHENYL)-
2,3-DIHYDRO-4H-CHROMEN-4-ONE
A1ZG30.72
C177-[(3-CHLOROBENZYL)OXY]-2-OXO-2H-
CHROMENE-4-CARBALDEHYDE
A,B2V600.71
MGImethyl 4-(2,3-dihydroxy-5-methylphenoxy)-
2-hydroxy-6-methylbenzoate
A2ZA00.7
AGI5,7-dihydroxy-2-(4-hydroxyphenyl)-
4H-chromen-4-one
A,B,C,D,E,F3CF90.74
QSO5,7-dihydroxy-3-(4-methoxyphenyl)-
4H-chromen-4-one
A,B2QYO0.73
SYRSYRINGATEA,B1WB50.73
DFV7-HYDROXY-2-(4-HYDROXY-PHENYL)-
CHROMAN-4-ONE
B,C1JX10.75
DFV7-HYDROXY-2-(4-HYDROXY-PHENYL)-
CHROMAN-4-ONE
A,B1JX00.75
DFV7-HYDROXY-2-(4-HYDROXY-PHENYL)-
CHROMAN-4-ONE
A,B1FM70.75
EGC2-(2-{2-[2-(2-{2-[2-(2-{2-[4-(1,1,3,3-
TETRAMETHYL-BUTYL)-PHENOXY]-ETHOXY}-
ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-
ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL
A,B1JP30.71
EGC2-(2-{2-[2-(2-{2-[2-(2-{2-[4-(1,1,3,3-
TETRAMETHYL-BUTYL)-PHENOXY]-ETHOXY}-
ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-
ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL
A2W220.71
MPB4-HYDROXY-BENZOIC ACID METHYL ESTERB,C,D2VK00.8
MPB4-HYDROXY-BENZOIC ACID METHYL ESTERA,B,D3MTH0.8