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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03069958

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
CHP3-CHLORO-4-HYDROXYPHENYLGLYCINEA1DSR0.7
NOANAPHTHYLOXYACETIC ACIDA,B,I1HIV0.71
NOANAPHTHYLOXYACETIC ACIDI1IVP0.71
BZFBENZOFURANA182L0.71
V554-hydroxy-3-methoxybenzaldehydeB,D,E,F2VSS0.71
V554-hydroxy-3-methoxybenzaldehydeA,B,D,E,F2VSU0.71
M1S(5E)-14-CHLORO-15,17-DIHYDROXY-
4,7,8,9,10,11-HEXAHYDRO-2-BENZOXACYCLOPENTADECINE-
1,12(3H,13H)-DIONE		A2IWX0.71
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID		A2PIT0.8
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID		A1NQ10.8
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID		A2PIU0.8
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID		A2PKL0.8
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID		A,B3D570.8
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID		A1NQ20.8
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID		A2QPY0.8
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID		A1NQ00.8
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID		A1NUO0.8
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID		A,B2PIN0.8
4HP4-HYDROXYPHENYLACETATEA,B,C,D2JBT0.77
4HP4-HYDROXYPHENYLACETATEA2YYJ0.77
4HP4-HYDROXYPHENYLACETATEA2YYM0.77
4HP4-HYDROXYPHENYLACETATEB1AI60.77
4HP4-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCG0.77
4FE(2E)-3-(3-hydroxy-4-methoxyphenyl)prop-
2-enoic acid		A3CBG0.71
4BR2-(4-METHYLPHENOXY)ETHYLPHOSPHINATEA1PE70.72
A185-(2-CHLOROBENZYL)-2-FUROIC ACIDA2Q960.79
CIOCILOMILASTA,B1XOM0.73
CIOCILOMILASTA,B1XLX0.73
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
PFI(6S)-6-CYCLOPENTYL-6-[2-(3-FLUORO-
4-ISOPROPOXYPHENYL)ETHYL]-4-HYDROXY-
5,6-DIHYDRO-2H-PYRAN-2-ONE		A2HAI0.74
3CAA,B2B770.72
HZ3dimethyl (1R,4S)-5,6-bis(4-hydroxyphenyl)-
7-oxabicyclo[2.2.1]hepta-2,5-diene-
2,3-dicarboxylate		A,B2QR90.71
IH5[4-(4-HYDROXY-3-ISOPROPYLPHENOXY)-
3,5-DIMETHYLPHENYL]ACETIC ACID		A1NAV0.8
IH5[4-(4-HYDROXY-3-ISOPROPYLPHENOXY)-
3,5-DIMETHYLPHENYL]ACETIC ACID		A1NAX0.8
TON2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOLA,B1SEZ0.73
DBA(2,6-DIMETHYL-PHENOXY)-ACETIC ACIDA,B1IDB0.76
JPM5-benzyl-2-(2,4-dichlorophenoxy)phenolA,B,C,D3FNF0.7
HOM7-HYDROXY-4-METHYL-3-(2-HYDROXY-
ETHYL)COUMARIN		C,D1CJF0.74
YRG(2S)-2-(4-chlorophenoxy)-3-phenylpropanoic acidA3CDP0.87
WRS4-HYDROXY-3-[(1S,3S)-3-HYDROXY-
1-PHENYLBUTYL]-2H-CHROMEN-2-ONE		A1HA20.72
GRR(2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acidA3CDS0.81
NP5(5E)-12-CHLORO-13,15-DIHYDROXY-
4,7,8,9-TETRAHYDRO-2-BENZOXACYCLOTRIDECINE-
1,10(3H,11H)-DIONE		A2IWU0.71
EAAETHACRYNIC ACIDA,B3DGQ0.81
EAAETHACRYNIC ACIDA,B11GS0.81
EAAETHACRYNIC ACIDA,B,C,D1GSF0.81
EAAETHACRYNIC ACIDA,B2GSS0.81
EAAETHACRYNIC ACIDA,B3GSS0.81
EAAETHACRYNIC ACIDA,B1GSE0.81
JPL5-(cyclohexa-1,5-dien-1-ylmethyl)-
2-(2,4-dichlorophenoxy)phenol		A3FNG0.71
U034-HYDROXY-7-METHOXY-3-(1-PHENYL-
PROPYL)-CHROMEN-2-ONE		A3UPJ0.73
OACTRANS-O-HYDROXY-ALPHA-METHYL CINNAMATEC3GCH0.72
43M4-CHLORO-3-METHYLPHENOLA2P7A0.7
WRR4-HYDROXY-3-[(1S,3R)-3-HYDROXY-
1-PHENYLBUTYL]-2H-CHROMEN-2-ONE		A1H9Z0.72
CFA(2,4-DICHLOROPHENOXY)ACETIC ACIDB,E2P1N0.73
MPB4-HYDROXY-BENZOIC ACID METHYL ESTERB,C,D2VK00.75
MPB4-HYDROXY-BENZOIC ACID METHYL ESTERA,B,D3MTH0.75
ENO3-(4-HYDROXY-PHENYL)PYRUVIC ACIDH,I1A2C0.74
ENO3-(4-HYDROXY-PHENYL)PYRUVIC ACIDA,B,C1CA70.74
ENO3-(4-HYDROXY-PHENYL)PYRUVIC ACIDA,B,C,D3GGO0.74
EMFethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylateA,B2QZZ0.76
EMFethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylateA,B2R2G0.76
ZHZ2-(4-METHOXYPHENYL)ACETAMIDED,H2HKR0.74
FCD5-(2-CHLOROPHENYL)FURAN-2-CARBOXYLIC ACIDA1XNZ0.77
34C(3-CHLORO-4-PROPOXY-PHENYL)-ACETIC ACIDA,B1HT80.94
AI73-(heptyloxy)benzoic acidA,B2O3Z0.81
MTJN,O-DIMETHYL-L-TYROSINEA,B1ATL0.72
296(3R)-3-amino-2,2-difluoro-3-(4-
methoxyphenyl)propanoic acid		A,B2RJS0.71
C177-[(3-CHLOROBENZYL)OXY]-2-OXO-2H-
CHROMENE-4-CARBALDEHYDE		A,B2V600.78
D1L2-[4-(2,4-DICHLOROPHENOXY)PHENOXY]PROPANOIC ACIDA,B1UYR0.73
RWFR-WARFARINA,B2BXD0.72
SC41[2-CHLORO-4-METHOXY-PHENYL-OXYMETHYL]-
4-[2,6-DICHLORO-PHENYL-OXYMETHYL]-
BENZENE		1,41EAH0.74
SC41[2-CHLORO-4-METHOXY-PHENYL-OXYMETHYL]-
4-[2,6-DICHLORO-PHENYL-OXYMETHYL]-
BENZENE		1,43EPF0.74
TOM4-(2-METHOXYPHENYL)-2-OXOBUT-3-
ENOIC ACID		A2IMF0.76
2CL(2,6-DICHLOROPHENYL)ACETIC ACIDA2IPW0.74
2CL(2,6-DICHLOROPHENYL)ACETIC ACIDA2IS70.74
OXNOXTOXYNOL-10A1IKT0.71
OXNOXTOXYNOL-10A,B2Q320.71
OXNOXTOXYNOL-10A,B1UEH0.71
OXNOXTOXYNOL-10A,B2D4Q0.71
FC25-(2,5-DICHLOROPHENYL)-2-FUROIC ACIDA2EVM0.76
AZ2(2S)-2-ETHOXY-3-[4-(2-{4-[(METHYLSULFONYL)OXY]PHENYL}ETHOXY)PHENYL]PROPANOIC ACIDA,B1I7I0.76
AZ2(2S)-2-ETHOXY-3-[4-(2-{4-[(METHYLSULFONYL)OXY]PHENYL}ETHOXY)PHENYL]PROPANOIC ACIDA1I7G0.76
YZ97-HYDROXY-2-OXO-CHROMENE-3-CARBOXYLIC ACID ETHYL ESTERA,B,C1GCZ0.72
DR6ALPHA-[4-(1,1,3,3 - TETRAMETHYLBUTYL)PHENYL]-
OMEGA-HYDROXY-POLY(OXY-1,2-ETHANEDIYL)		C,I,T1YTZ0.7
3BZ3-chlorobenzoateX2QVZ0.71
3BZ3-chlorobenzoateX2QVX0.71
DFL2-(4-HYDROXY-PHENYL)-CHROMAN-4-
ONE		A,B1JEP0.72
VXXVANILLATEA,B1WB60.71
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D3E5U0.81
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B3E6B0.81
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D3E5X0.81
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B2H6B0.81
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDC3E6C0.81
3HP3-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCE0.72
MPP3-(3,4-DIMETHOXYPHENYL)PROPIONIC ACIDA,B2AY30.8
T4AC,D1KGI0.78
T4AA,B1Z7J0.78
TCT6-(4-CHLORO-2-HYDROXY-PHENOXY)-
NAPHTHALEN-2-OL		A,B1NNU0.71
TRTFRAGMENT OF TRITON X-100A,E2I0U0.71
TRTFRAGMENT OF TRITON X-100A,B1OIZ0.71
SWFS-WARFARINA,B1OG50.72
1744-CHLORO-BENZOIC ACIDX3DLP0.71
1744-CHLORO-BENZOIC ACIDX1T5D0.71
HPPHYDROXYPHENYL PROPIONIC ACIDA,B2TPL0.76
HPPHYDROXYPHENYL PROPIONIC ACIDA,B,C,D3GGP0.76
ANN4-METHOXYBENZOIC ACIDA2B960.79
ANN4-METHOXYBENZOIC ACIDA2QUE0.79
ANN4-METHOXYBENZOIC ACIDA1SV30.79
ANN4-METHOXYBENZOIC ACIDA1O2E0.79
ANN4-METHOXYBENZOIC ACIDA,B,C,D3CBI0.79
OEF3,5-DIBROMO-4-(3-ISOPROPYL-PHENOXY)BENZOIC ACIDA2J4A0.7
NP4(5Z)-12-CHLORO-13,15-DIHYDROXY-
4,7,8,9-TETRAHYDRO-2-BENZOXACYCLOTRIDECINE-
1,10(3H,11H)-DIONE		A2IWS0.71
COUCOUMARINA3CRB0.72
COUCOUMARINA2PMJ0.72
COUCOUMARINA2H900.72
COUCOUMARINA,B,C,D1Z100.72
COUCOUMARINA2PWB0.72
4MU7-hydroxy-4-methyl-2H-chromen-2-
one		A,B3ETS0.73
CHB3-CHLORO-4-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCH0.74
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		2BT40.72
4HC4-HYDROXY-2H-CHROMEN-2-ONEA,B1V5Y0.73
L1O4-(2-aminoethoxy)-3,5-dichlorobenzoic acidA2VIO0.76
VNL4-HYDROXY-3-METHOXYBENZOATEA,B,C,D2AHC0.71
VNL4-HYDROXY-3-METHOXYBENZOATEA1XLR0.71
G24[4-(3-BENZYL-4-HYDROXYBENZYL)-3,5-
DIMETHYLPHENOXY]ACETIC ACID		A1Q4X0.71
NPS(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acidA2VDB0.77
HXP3,6-DIHYDROXY-XANTHENE-9-PROPIONIC ACIDA1XAN0.72
P2N(5Z)-13-CHLORO-14,16-DIHYDROXY-
3,4,7,8,9,10-HEXAHYDRO-1H-2-BENZOXACYCLOTETRADECINE-
1,11(12H)-DIONE		A2CGF0.71
2C2(2S)-2-HYDROXY-2H-CHROMENE-2-CARBOXYLIC ACIDA2IME0.72
2C2(2S)-2-HYDROXY-2H-CHROMENE-2-CARBOXYLIC ACIDA2IMD0.72
AIN2-(ACETYLOXY)BENZOIC ACIDA3GCL0.78
AIN2-(ACETYLOXY)BENZOIC ACIDA2QQT0.78
AIN2-(ACETYLOXY)BENZOIC ACIDA1TGM0.78
AIN2-(ACETYLOXY)BENZOIC ACIDA2G5J0.78
AIN2-(ACETYLOXY)BENZOIC ACIDA1OXR0.78
AIN2-(ACETYLOXY)BENZOIC ACIDA3HWY0.78
LRG(2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acidA3B3K0.77
LRG(2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acidA3D6D0.77
HHH(2S)-hydroxy(4-hydroxyphenyl)ethanoic acidA,B2R5V0.73
MAXMATAIRESINOLA2BGM0.73
ZZ14-METHYL-2H-CHROMEN-2-ONEA2CIP0.75
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
OHP(2-HYDROXYPHENYL)ACETIC ACIDA2INZ0.74
FLN2-PHENYL-4H-CHROMEN-4-ONEA2G0L0.71