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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00006047

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
4HC4-HYDROXY-2H-CHROMEN-2-ONEA,B1V5Y0.71
U034-HYDROXY-7-METHOXY-3-(1-PHENYL-
PROPYL)-CHROMEN-2-ONE		A3UPJ0.7
OXNOXTOXYNOL-10A1IKT0.7
OXNOXTOXYNOL-10A,B2Q320.7
OXNOXTOXYNOL-10A,B1UEH0.7
OXNOXTOXYNOL-10A,B2D4Q0.7
R71[4-({6-[ALLYL(METHYL)AMINO]HEXYL}OXY)-
2-FLUOROPHENYL](4-BROMOPHENYL)METHANONE		A1W6J0.73
R71[4-({6-[ALLYL(METHYL)AMINO]HEXYL}OXY)-
2-FLUOROPHENYL](4-BROMOPHENYL)METHANONE		A,B,C1GSZ0.73
BR3(6-METHYL-3,4-DIHYDRO-2H-CHROMEN-
2-YL)METHYLPHOSPHINATE		A1PE50.73
BZFBENZOFURANA182L0.81
ZHZ2-(4-METHOXYPHENYL)ACETAMIDED,H2HKR0.78
4BR2-(4-METHYLPHENOXY)ETHYLPHOSPHINATEA1PE70.78
IHB3-IODO-4-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCI0.73
BHF2-PHENYL-4H-BENZO[H]CHROMEN-4-ONEA2HI40.72
MPP3-(3,4-DIMETHOXYPHENYL)PROPIONIC ACIDA,B2AY30.75
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
WRS4-HYDROXY-3-[(1S,3S)-3-HYDROXY-
1-PHENYLBUTYL]-2H-CHROMEN-2-ONE		A1HA20.73
B215-(2-METHOXYPHENYL)-2-FUROIC ACIDA2Q930.73
NARNARINGENINA,B2UXU0.76
NARNARINGENINA2BRT0.76
NARNARINGENINA1CGK0.76
NARNARINGENINA,B1EYQ0.76
WRR4-HYDROXY-3-[(1S,3R)-3-HYDROXY-
1-PHENYLBUTYL]-2H-CHROMEN-2-ONE		A1H9Z0.73
BZMBENZOIC ACID PHENYLMETHYLESTERA,B1DZM0.75
TON2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOLA,B1SEZ0.73
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
ZZ14-METHYL-2H-CHROMEN-2-ONEA2CIP0.76
ANN4-METHOXYBENZOIC ACIDA2B960.85
ANN4-METHOXYBENZOIC ACIDA2QUE0.85
ANN4-METHOXYBENZOIC ACIDA1SV30.85
ANN4-METHOXYBENZOIC ACIDA1O2E0.85
ANN4-METHOXYBENZOIC ACIDA,B,C,D3CBI0.85
RWFR-WARFARINA,B2BXD0.7
FHB3-FLUORO-4-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCF0.73
PSNBENZYL 2-FORMYLPHENYL HYDROGEN PHOSPHATEA1O4K0.74
TOM4-(2-METHOXYPHENYL)-2-OXOBUT-3-
ENOIC ACID		A2IMF0.75
TRTFRAGMENT OF TRITON X-100A,E2I0U0.74
TRTFRAGMENT OF TRITON X-100A,B1OIZ0.74
2HI(2S,3R)-2,7-DIHYDROXY-3-(4-HYDROXYPHENYL)-
2,3-DIHYDRO-4H-CHROMEN-4-ONE		A1ZG30.71
YRG(2S)-2-(4-chlorophenoxy)-3-phenylpropanoic acidA3CDP0.71
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		A2E140.73
NPS(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acidA2VDB0.71
6676-OXO-8,9,10,11-TETRAHYDRO-7H-CYCLOHEPTA[C][1]BENZOPYRAN-
3-O-SULFAMATE		A1TTM0.7
BEK2,3,5,6-TETRAFLUORO-4-METHOXY-BENZAMIDEA1KJR0.71
SAK(2S)-5-hydroxy-2-(4-hydroxyphenyl)-
7-methoxy-2,3-dihydro-4H-chromen-
4-one		A,B,C,D,E,F3D040.76
L41{4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenoxy}acetic acidA,B3D5F0.72
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
PFI(6S)-6-CYCLOPENTYL-6-[2-(3-FLUORO-
4-ISOPROPOXYPHENYL)ETHYL]-4-HYDROXY-
5,6-DIHYDRO-2H-PYRAN-2-ONE		A2HAI0.72
COUCOUMARINA3CRB0.76
COUCOUMARINA2PMJ0.76
COUCOUMARINA2H900.76
COUCOUMARINA,B,C,D1Z100.76
COUCOUMARINA2PWB0.76
DTCBISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2-
BENZOPYRONE]		A2Z9C0.73
DTCBISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2-
BENZOPYRONE]		A,B1OOQ0.73
DTCBISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2-
BENZOPYRONE]		A,B,C,D,E,F,
G,H		2F1O0.73
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,B1JP30.7
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		A2W220.7
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
SMASTIGMATELLIN AA,C,D,E,N,P,
Q,R		3H1I0.7
SMASTIGMATELLIN AA,B,C,D,E,F,
G,O,P,Q,R,S,T		1PPJ0.7
SMASTIGMATELLIN AA,C,D,E,L,N,
O,P,W		3CXH0.7
SMASTIGMATELLIN AC,D,E,P,Q,R1ZRT0.7
SMASTIGMATELLIN AC,H,L,M2JBL0.7
SMASTIGMATELLIN AA,B,C,D,E,F,
G,I,N,O,P,Q,
R,S,T,U,V,W		2A060.7
SMASTIGMATELLIN AA,B,C,D,E,F,
G,H,I,J,K,L		2QJP0.7
SMASTIGMATELLIN AA,C,D,E1KB90.7
SMASTIGMATELLIN AA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R		2QJK0.7
SMASTIGMATELLIN AA,B,C,D,E,F,
G,N,O,P,Q,R,
S,T		1PP90.7
SMASTIGMATELLIN AC,D,E2IBZ0.7
SMASTIGMATELLIN AA,C,D,E,L,N,
O,P,W		3CX50.7
SMASTIGMATELLIN AA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R		2FYN0.7
SMASTIGMATELLIN AA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R		2QJY0.7
SMASTIGMATELLIN AC,D,E1EZV0.7
SMASTIGMATELLIN AC,D,E,N,O,P,W1KYO0.7
SMASTIGMATELLIN AA,C,D,E,G,N,
P,Q,R,S		3H1J0.7
SMASTIGMATELLIN AC,D,E1SQX0.7
2992,6-DIFORMYL-4-METHYLPHENYL DIHYDROGEN PHOSPHATEA1O4E0.74
A185-(2-CHLOROBENZYL)-2-FUROIC ACIDA2Q960.7
LRG(2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acidA3B3K0.73
LRG(2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acidA3D6D0.73
2622-FORMYLPHENYL DIHYDROGEN PHOSPHATEA1O4D0.74
FU2FURFURALA,B,C,D1QXD0.75
DFV7-HYDROXY-2-(4-HYDROXY-PHENYL)-
CHROMAN-4-ONE		B,C1JX10.77
DFV7-HYDROXY-2-(4-HYDROXY-PHENYL)-
CHROMAN-4-ONE		A,B1JX00.77
DFV7-HYDROXY-2-(4-HYDROXY-PHENYL)-
CHROMAN-4-ONE		A,B1FM70.77
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID		A,C,E1KYZ0.72
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID		A1JT20.72
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID		A6ATJ0.72
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID		A,B1GKL0.72
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID		A1GWT0.72
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID		A,B,C2BJH0.72
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID		A1GW20.72
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID		A3CBG0.72
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID		A2BNJ0.72
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID		A,B1UWC0.72
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID		A7ATJ0.72
T4AC,D1KGI0.72
T4AA,B1Z7J0.72
2682-phenoxyethanolA2RBR0.71
SWFS-WARFARINA,B1OG50.7
34C(3-CHLORO-4-PROPOXY-PHENYL)-ACETIC ACIDA,B1HT80.75
AC6P-HYDROXYACETOPHENONEA2GQ80.8
AC6P-HYDROXYACETOPHENONEX2O480.8
R88(4-BROMOPHENYL)[4-({(2E)-4-[CYCLOPROPYL(METHYL)AMINO]BUT-
2-ENYL}OXY)PHENYL]METHANONE		A,B,C1H360.74
4MP1-(4-METHOXYBENZOYL)-2-PYRROLIDINONEA,B2AL50.74
AI73-(heptyloxy)benzoic acidA,B2O3Z0.84
DFL2-(4-HYDROXY-PHENYL)-CHROMAN-4-
ONE		A,B1JEP0.78
BVL(2E)-1-[2-hydroxy-4-methoxy-5-(3-
methylbut-2-en-1-yl)phenyl]-3-(4-
hydroxyphenyl)prop-2-en-1-one		A2ZBH0.74
4FE(2E)-3-(3-hydroxy-4-methoxyphenyl)prop-
2-enoic acid		A3CBG0.72
4HP4-HYDROXYPHENYLACETATEA,B,C,D2JBT0.71
4HP4-HYDROXYPHENYLACETATEA2YYJ0.71
4HP4-HYDROXYPHENYLACETATEA2YYM0.71
4HP4-HYDROXYPHENYLACETATEB1AI60.71
4HP4-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCG0.71
HMO4'-HYDROXY-7-METHOXYISOFLAVONEA1FP20.74
VXXVANILLATEA,B1WB60.76
3HB3-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCB0.71
3HB3-HYDROXYBENZOIC ACIDA2DKH0.71
MPB4-HYDROXY-BENZOIC ACID METHYL ESTERB,C,D2VK00.81
MPB4-HYDROXY-BENZOIC ACID METHYL ESTERA,B,D3MTH0.81
FUX5-HYDROXYMETHYL-FURFURALA,B,C,D1QXE0.72
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
DDC7-HYDROXY-2-PHENYL-CHROMAN-4-ONEA,B1FM80.77
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID		A2PIT0.74
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID		A1NQ10.74
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID		A2PIU0.74
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID		A2PKL0.74
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID		A,B3D570.74
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID		A1NQ20.74
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID		A2QPY0.74
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID		A1NQ00.74
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID		A1NUO0.74
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID		A,B2PIN0.74
3MB3-METHOXYBENZAMIDEA3PAX0.78
HOM7-HYDROXY-4-METHYL-3-(2-HYDROXY-
ETHYL)COUMARIN		C,D1CJF0.71
GENGENISTEINA1QKM0.73
GENGENISTEINA,B1X7J0.73
GENGENISTEINA,B2QA80.73
GENGENISTEINA1X7R0.73
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
FLN2-PHENYL-4H-CHROMEN-4-ONEA2G0L0.81
DBEbis(4-hydroxyphenyl)methanoneA2VKU0.75
KMP3,5,7-TRIHYDROXY-2-(4-HYDROXYPHENYL)-
4H-CHROMEN-4-ONE		A,B,C,D1H1M0.73
KMP3,5,7-TRIHYDROXY-2-(4-HYDROXYPHENYL)-
4H-CHROMEN-4-ONE		A2C1Z0.73
219CYCLOHEXYLMETHYL 2-FORMYLPHENYL HYDROGEN PHOSPHATEA1O4I0.73
V554-hydroxy-3-methoxybenzaldehydeB,D,E,F2VSS0.84
V554-hydroxy-3-methoxybenzaldehydeA,B,D,E,F2VSU0.84
3972-(4-HYDROXY-PHENYL)BENZOFURAN-
5-OL		A,B1U9E0.73
DBA(2,6-DIMETHYL-PHENOXY)-ACETIC ACIDA,B1IDB0.73
EMFethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylateA,B2QZZ0.7
EMFethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylateA,B2R2G0.7
GRR(2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acidA3CDS0.77
FC35-[2-(TRIFLUOROMETHYL)PHENYL]-2-
FUROIC ACID		A2EVC0.71
HBAP-HYDROXYBENZALDEHYDEA1K030.82
HBAP-HYDROXYBENZALDEHYDEA,B2VQ50.82
HBAP-HYDROXYBENZALDEHYDEA,B1EB90.82
HBAP-HYDROXYBENZALDEHYDEA2GQ90.82
HBAP-HYDROXYBENZALDEHYDEA,B1Z420.82
HBAP-HYDROXYBENZALDEHYDEA1OYB0.82
ERD(2S)-2-(3,4-DIHYDROXYPHENYL)-5,7-
DIHYDROXY-2,3-DIHYDRO-4H-CHROMEN-
4-ONE		D,F2NNL0.72
C177-[(3-CHLOROBENZYL)OXY]-2-OXO-2H-
CHROMENE-4-CARBALDEHYDE		A,B2V600.71
AGI5,7-dihydroxy-2-(4-hydroxyphenyl)-
4H-chromen-4-one		A,B,C,D,E,F3CF90.74
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		2BT40.7
FLU2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-
YL)-BENZOIC ACID		L1FLR0.7
FLU2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-
YL)-BENZOIC ACID		A,B1N0S0.7
FLU2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-
YL)-BENZOIC ACID		C,L1T660.7
FLU2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-
YL)-BENZOIC ACID		A1X9Q0.7
FLU2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-
YL)-BENZOIC ACID		A,D2NMV0.7
SYRSYRINGATEA,B1WB50.73
3002-FORMYL-6-METHOXYPHENYL DIHYDROGEN PHOSPHATEA1O410.78
23A2,3-DIHYDROXYBENZALDEHYDEA,B,C,D2DVX0.71