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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03331861

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
TOM4-(2-METHOXYPHENYL)-2-OXOBUT-3-
ENOIC ACID		A2IMF0.7
DAH3,4-DIHYDROXYPHENYLALANINEA,B1RNR0.73
DAH3,4-DIHYDROXYPHENYLALANINEA6PAH0.73
DAH3,4-DIHYDROXYPHENYLALANINEA,B1IVV0.73
DHCCAFFEIC ACIDA,B,C,D,E,F,
G,H		2O7D0.72
DHCCAFFEIC ACIDA1KOU0.72
MR11-(1,3-BENZODIOXOL-5-YL)METHANAMINEA2ORQ0.74
BP71,1'-BIPHENYL-3,4-DIOLA2EI00.73
EGT2-(3,4,5-TRIHYDROXY-PHENYL)-CHROMAN-
3,5,7-TRIOL		A1JNQ0.71
M07(5R,7R,8S,9S,10R)-7-(HYDROXYMETHYL)-
3-(4-METHOXYPHENYL)-1,6-DIOXA-2-
AZASPIRO[4.5]DEC-2-ENE-8,9,10-TRIOL		A2QRG0.71
PITPICEATANNOLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N		2JJ10.7
FIL(1E)-1-[3-(CYCLOPENTYLOXY)-4-METHOXYPHENYL]ETHANONE O-
(AMINOCARBONYL)OXIME		A,B1XLZ0.72
MBD3-METHYLCATECHOLA1KNF0.74
BPYBIPHENYL-2,3-DIOLA1KMY0.72
BPYBIPHENYL-2,3-DIOLB1KW80.72
BPYBIPHENYL-2,3-DIOLA2EI30.72
BPYBIPHENYL-2,3-DIOLA1EIR0.72
BPYBIPHENYL-2,3-DIOLB1KW60.72
BPYBIPHENYL-2,3-DIOLB1KWC0.72
BPYBIPHENYL-2,3-DIOLB1KW90.72
EUG2-METHOXY-4-VINYL-PHENOLA2QU90.85
EUG2-METHOXY-4-VINYL-PHENOLA,B1QLU0.85
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1J0.85
EUG2-METHOXY-4-VINYL-PHENOLA,B2VAO0.85
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1K0.85
EUG2-METHOXY-4-VINYL-PHENOLA,B1DZN0.85
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1L0.85
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1M0.85
SYRSYRINGATEA,B1WB50.71
VNL4-HYDROXY-3-METHOXYBENZOATEA,B,C,D2AHC0.74
VNL4-HYDROXY-3-METHOXYBENZOATEA1XLR0.74
UQ65-(3,7,11,15,19,23-HEXAMETHYL-TETRACOSA-
2,6,10,14,18,22-HEXAENYL)-2,3-DIMETHOXY-
6-METHYL-BENZENE-1,4-DIOL		C,D,E1EZV0.74
UQ65-(3,7,11,15,19,23-HEXAMETHYL-TETRACOSA-
2,6,10,14,18,22-HEXAENYL)-2,3-DIMETHOXY-
6-METHYL-BENZENE-1,4-DIOL		A,C,D,E1P840.74
UQ65-(3,7,11,15,19,23-HEXAMETHYL-TETRACOSA-
2,6,10,14,18,22-HEXAENYL)-2,3-DIMETHOXY-
6-METHYL-BENZENE-1,4-DIOL		C,D,E2IBZ0.74
UQ65-(3,7,11,15,19,23-HEXAMETHYL-TETRACOSA-
2,6,10,14,18,22-HEXAENYL)-2,3-DIMETHOXY-
6-METHYL-BENZENE-1,4-DIOL		A,C,D,E1KB90.74
2MP3,4-DIMETHYLPHENOLA1L5O0.7
ANMANISOMYCIN1,2,4,A,B,C,
D,E,J,K,L,M,
N,O,P,R,S,T,
U,V,Z		1K730.71
ANMANISOMYCIN0,1,3,9,A,B,
C,F,H,J,K,L,
M,N,O,Q,R,S,
T,U,Y,Z		3CC40.71
TON2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOLA,B1SEZ0.73
OXNOXTOXYNOL-10A1IKT0.72
OXNOXTOXYNOL-10A,B2Q320.72
OXNOXTOXYNOL-10A,B1UEH0.72
OXNOXTOXYNOL-10A,B2D4Q0.72
SXXSINAPINATEA,B1WB40.78
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,B1JP30.72
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		A2W220.72
8PS5-OCTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B370.8
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID		A,C,E1KYZ0.82
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID		A1JT20.82
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID		A6ATJ0.82
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID		A,B1GKL0.82
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID		A1GWT0.82
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID		A,B,C2BJH0.82
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID		A1GW20.82
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID		A3CBG0.82
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID		A2BNJ0.82
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID		A,B1UWC0.82
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID		A7ATJ0.82
KOM7,8-dihydroxy-4-phenyl-2H-chromen-
2-one		A2ZVJ0.71
2612-ethoxyphenolX2RB10.74
ALEL-EPINEPHRINEA3PAH0.72
ALEL-EPINEPHRINEA2HKK0.72
VXXVANILLATEA,B1WB60.74
5PP5-PENTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B360.8
4FE(2E)-3-(3-hydroxy-4-methoxyphenyl)prop-
2-enoic acid		A3CBG0.82
AEH4-(2-aminoethyl)-2-ethylphenolA3BUG0.7
H532-(2,5-DIHYDROXYPHENYL)-6-(HYDROXYMETHYL)OXANE-
3,4,5-TRIOL		A2FF50.7
H532-(2,5-DIHYDROXYPHENYL)-6-(HYDROXYMETHYL)OXANE-
3,4,5-TRIOL		A2FET0.7
SLX(13aS)-3,10-dimethoxy-5,8,13,13a-
tetrahydro-6H-isoquino[3,2-a]isoquinoline-
2,9-diol		A3FW90.73
HV71-METHYLAMINE-2-HYDROXY-4-METHOXY-
BENZENE		C1A8G0.73
ZHH2-(4-METHOXYPHENYL)ETHANAMINED,H2HKR0.74
HFL5-(3,3-DIHYDROXYPROPENY)-3-METHOXY-
BENZENE-1,2-DIOL		C,F1KYW0.79
ZHZ2-(4-METHOXYPHENYL)ACETAMIDED,H2HKR0.71
PZM1-(4-METHOXYPHENYL)METHANAMINEA,D,H2HJB0.73
LNRL-NOREPINEPHRINEA,B2QEO0.75
LNRL-NOREPINEPHRINEA3DYE0.75
LNRL-NOREPINEPHRINEA4PAH0.75
DR6ALPHA-[4-(1,1,3,3 - TETRAMETHYLBUTYL)PHENYL]-
OMEGA-HYDROXY-POLY(OXY-1,2-ETHANEDIYL)		C,I,T1YTZ0.72
YR3(2S)-3-{4-[1-ethyl-1-(4-{[(2R)-
2-hydroxy-3,3-dimethylbutyl]oxy}-
3-methylphenyl)propyl]-2-methylphenoxy}propane-
1,2-diol		A2ZFX0.7
REN(S)-reticulineA3FWA0.76
REN(S)-reticulineA3D2D0.76
IM3(2E)-3-(3,4-DIHYDROXYPHENYL)-2-
IMINOPROPANOIC ACID		A,B,C,D2E820.7
TRTFRAGMENT OF TRITON X-100A,E2I0U0.71
TRTFRAGMENT OF TRITON X-100A,B1OIZ0.71
LDPL-DOPAMINEA,B2A3R0.79
LDPL-DOPAMINEA5PAH0.79
LDPL-DOPAMINEA,B2QMZ0.79
LDPL-DOPAMINEA,B2VQ50.79
V554-hydroxy-3-methoxybenzaldehydeB,D,E,F2VSS0.73
V554-hydroxy-3-methoxybenzaldehydeA,B,D,E,F2VSU0.73
142CARBIDOPAA,B1JS30.71
MPP3-(3,4-DIMETHOXYPHENYL)PROPIONIC ACIDA,B2AY30.79
FX35-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-
2-enoyl]-alpha-L-ribofuranose		A2VGD0.72
4HM4-HYDROPEROXY-2-METHOXY-PHENOLA1HU90.7
EMFethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylateA,B2QZZ0.77
EMFethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylateA,B2R2G0.77
MAXMATAIRESINOLA2BGM0.74
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQR0.7
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQS0.7
G24[4-(3-BENZYL-4-HYDROXYBENZYL)-3,5-
DIMETHYLPHENOXY]ACETIC ACID		A1Q4X0.71
AEF4-(2-aminoethyl)phenolA3BRA0.7
ESM1,3,5(10)-ESTRATRIEN-2,3,17-BETA-
TRIOL 2-METHYL ETHER		A1LHW0.73
TY33-HYDROXY-L-TYROSINEA,B2VH30.73
D1NNAPHTHALENE-1,2-DIOLA2EI10.7
8CM8-HYDROXYCOUMARINA2H8Z0.73
AEG4-[(2R)-2-aminopropyl]phenolA3BUF0.72
296(3R)-3-amino-2,2-difluoro-3-(4-
methoxyphenyl)propanoic acid		A,B2RJS0.7
MCT4-METHYLCATECHOLA1L4G0.75
MCT4-METHYLCATECHOLA2EHZ0.75
MCT4-METHYLCATECHOLA,B1DMH0.75