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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02415242

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
MUG4-METHYLUMBELLIFERYL-ALPHA-D-GLUCOSEA,B,C,D1CJP0.73
U034-HYDROXY-7-METHOXY-3-(1-PHENYL-
PROPYL)-CHROMEN-2-ONE		A3UPJ0.7
FUX5-HYDROXYMETHYL-FURFURALA,B,C,D1QXE0.71
HFL5-(3,3-DIHYDROXYPROPENY)-3-METHOXY-
BENZENE-1,2-DIOL		C,F1KYW0.77
FOA2-FUROIC ACIDA,B2GF30.74
FOA2-FUROIC ACIDA,B,D2GAG0.74
FOA2-FUROIC ACIDA,B,C,D2GAH0.74
L41{4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenoxy}acetic acidA,B3D5F0.73
DBA(2,6-DIMETHYL-PHENOXY)-ACETIC ACIDA,B1IDB0.79
G24[4-(3-BENZYL-4-HYDROXYBENZYL)-3,5-
DIMETHYLPHENOXY]ACETIC ACID		A1Q4X0.74
POT(1S)-1-(PHENOXYMETHYL)PROPYL METHYLPHOSPHONOCHLORIDOATEA2NW60.71
SYRSYRINGATEA,B1WB50.71
8CM8-HYDROXYCOUMARINA2H8Z0.71
258(2-chloroethoxy)benzeneX2RAY0.72
4HM4-HYDROPEROXY-2-METHOXY-PHENOLA1HU90.81
D1L2-[4-(2,4-DICHLOROPHENOXY)PHENOXY]PROPANOIC ACIDA,B1UYR0.74
TOM4-(2-METHOXYPHENYL)-2-OXOBUT-3-
ENOIC ACID		A2IMF0.73
YRG(2S)-2-(4-chlorophenoxy)-3-phenylpropanoic acidA3CDP0.71
EUG2-METHOXY-4-VINYL-PHENOLA2QU90.7
EUG2-METHOXY-4-VINYL-PHENOLA,B1QLU0.7
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1J0.7
EUG2-METHOXY-4-VINYL-PHENOLA,B2VAO0.7
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1K0.7
EUG2-METHOXY-4-VINYL-PHENOLA,B1DZN0.7
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1L0.7
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1M0.7
FX35-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-
2-enoyl]-alpha-L-ribofuranose		A2VGD0.71
KOM7,8-dihydroxy-4-phenyl-2H-chromen-
2-one		A2ZVJ0.75
CFA(2,4-DICHLOROPHENOXY)ACETIC ACIDB,E2P1N0.76
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		2BT40.74
2682-phenoxyethanolA2RBR0.81
AZ2(2S)-2-ETHOXY-3-[4-(2-{4-[(METHYLSULFONYL)OXY]PHENYL}ETHOXY)PHENYL]PROPANOIC ACIDA,B1I7I0.71
AZ2(2S)-2-ETHOXY-3-[4-(2-{4-[(METHYLSULFONYL)OXY]PHENYL}ETHOXY)PHENYL]PROPANOIC ACIDA1I7G0.71
YZ97-HYDROXY-2-OXO-CHROMENE-3-CARBOXYLIC ACID ETHYL ESTERA,B,C1GCZ0.77
SXXSINAPINATEA,B1WB40.79
4MU7-hydroxy-4-methyl-2H-chromen-2-
one		A,B3ETS0.77
RCORESORCINOLA,B,C,E,F,G,
H,I,J,K		2OLY0.73
RCORESORCINOL1,3,A,B,C,D,
E,G,H,I,K,Q,
R,S,T,U,X,Y		2OM10.73
RCORESORCINOLA,B,C,E,G,H,
I,K		2OLZ0.73
RCORESORCINOLA,B,C,D,E,F2OMH0.73
RCORESORCINOLA,B,C,E,G,H,
I,J,K		2OMI0.73
RCORESORCINOLA,B,C,D,E,G,
I,J,K		1EVR0.73
RCORESORCINOLA,C,E,G,I,K,M1QIZ0.73
RCORESORCINOL1,3,A,B,C,D,
E,G,H,I,K,Q,
R,S,U,X,Y		2OM00.73
BTTBENZENE-1,2,4,5-TETROLA,B,C,D,E,F,
G,H,I,J,K,L		1TI60.7
BTTBENZENE-1,2,4,5-TETROLM,N,O,P,Q,R,
S,T,U,V,W,X		1VLF0.7
GRR(2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acidA3CDS0.74
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
2612-ethoxyphenolX2RB10.81
EGT2-(3,4,5-TRIHYDROXY-PHENYL)-CHROMAN-
3,5,7-TRIOL		A1JNQ0.72
HXP3,6-DIHYDROXY-XANTHENE-9-PROPIONIC ACIDA1XAN0.73
HOM7-HYDROXY-4-METHYL-3-(2-HYDROXY-
ETHYL)COUMARIN		C,D1CJF0.76
HHH(2S)-hydroxy(4-hydroxyphenyl)ethanoic acidA,B2R5V0.7
INK(RP,SP)-O-(2R)-(1-PHENOXYBUT-2-
YL)-METHYLPHOSPHONIC ACID CHLORIDE		A1HQD0.71
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID		A,C,E1KYZ0.74
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID		A1JT20.74
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID		A6ATJ0.74
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID		A,B1GKL0.74
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID		A1GWT0.74
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID		A,B,C2BJH0.74
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID		A1GW20.74
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID		A3CBG0.74
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID		A2BNJ0.74
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID		A,B1UWC0.74
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID		A7ATJ0.74
4HC4-HYDROXY-2H-CHROMEN-2-ONEA,B1V5Y0.73
2C2(2S)-2-HYDROXY-2H-CHROMENE-2-CARBOXYLIC ACIDA2IME0.78
2C2(2S)-2-HYDROXY-2H-CHROMENE-2-CARBOXYLIC ACIDA2IMD0.78
PYGBENZENE-1,2,3-TRIOLA,B,C,D,E,F,
G,H,I,J,K,L		1TI40.73
PYGBENZENE-1,2,3-TRIOLM,N,O,P,Q,R,
S,T,U,V,W,X		1VLE0.73
B215-(2-METHOXYPHENYL)-2-FUROIC ACIDA2Q930.71
GMN2,2',2"-[1,2,3-BENZENE-TRIYLTRIS(OXY)]TRIS[N,N,N-
TRIETHYLETHANAMINIUM]		A,B1N5M0.72
4FE(2E)-3-(3-hydroxy-4-methoxyphenyl)prop-
2-enoic acid		A3CBG0.74
LRG(2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acidA3B3K0.72
LRG(2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acidA3D6D0.72
SN12,4-DIHYDROXY-TRANS CINNAMIC ACID11K2I0.72
NOANAPHTHYLOXYACETIC ACIDA,B,I1HIV0.74
NOANAPHTHYLOXYACETIC ACIDI1IVP0.74
OFF2-DEOXY-3,4-BIS-O-[3-(4-HYDROXYPHENYL)PROPANOYL]-
L-THREO-PENTARIC ACID		A2OFF0.7
BRZ6-(1,1-DIMETHYLALLYL)-2-(1-HYDROXY-
1-METHYLETHYL)-2,3-DIHYDRO-7H-FURO[3,2-
G]CHROMEN-7-ONE		C1K3T0.71