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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00806920

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
OHT4-HYDROXYTAMOXIFENA3ERT0.7
OHT4-HYDROXYTAMOXIFENA,B1S9Q0.7
OHT4-HYDROXYTAMOXIFENA,B1VJB0.7
OHT4-HYDROXYTAMOXIFENA,B,C,P,R2JF90.7
OHT4-HYDROXYTAMOXIFENA,B,C,D,E,F2GPV0.7
OHT4-HYDROXYTAMOXIFENA2GPU0.7
OHT4-HYDROXYTAMOXIFENA2P7Z0.7
OHT4-HYDROXYTAMOXIFENA,B2BJ40.7
OHT4-HYDROXYTAMOXIFENA,B2FSZ0.7
RFX(3R)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-
1-amine		A3GWV0.7
FLN2-PHENYL-4H-CHROMEN-4-ONEA2G0L0.74
V554-hydroxy-3-methoxybenzaldehydeB,D,E,F2VSS0.81
V554-hydroxy-3-methoxybenzaldehydeA,B,D,E,F2VSU0.81
SFX(3S)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-
1-amine		A3GWW0.7
DFL2-(4-HYDROXY-PHENYL)-CHROMAN-4-
ONE		A,B1JEP0.71
4FE(2E)-3-(3-hydroxy-4-methoxyphenyl)prop-
2-enoic acid		A3CBG0.71
VXXVANILLATEA,B1WB60.77
ANN4-METHOXYBENZOIC ACIDA2B960.74
ANN4-METHOXYBENZOIC ACIDA2QUE0.74
ANN4-METHOXYBENZOIC ACIDA1SV30.74
ANN4-METHOXYBENZOIC ACIDA1O2E0.74
ANN4-METHOXYBENZOIC ACIDA,B,C,D3CBI0.74
CIOCILOMILASTA,B1XOM0.73
CIOCILOMILASTA,B1XLX0.73
C41ALISKIRENC,O2V0Z0.72
ZHZ2-(4-METHOXYPHENYL)ACETAMIDED,H2HKR0.72
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
CMZ(2S)-1-(2,5-dimethylphenoxy)-3-
morpholin-4-ylpropan-2-ol		A2OF00.74
2TN2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDEA2OTF0.75
2TN2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDEA2NUV0.75
2TN2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDEA2OUB0.75
ERD(2S)-2-(3,4-DIHYDROXYPHENYL)-5,7-
DIHYDROXY-2,3-DIHYDRO-4H-CHROMEN-
4-ONE		D,F2NNL0.71
R88(4-BROMOPHENYL)[4-({(2E)-4-[CYCLOPROPYL(METHYL)AMINO]BUT-
2-ENYL}OXY)PHENYL]METHANONE		A,B,C1H360.79
AI73-(heptyloxy)benzoic acidA,B2O3Z0.79
GRR(2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acidA3CDS0.71
SB82-(3-BENZOYLPHENOXY)ETHYL(HYDROXY)FORMAMIDEA2AIA0.79
AIN2-(ACETYLOXY)BENZOIC ACIDA3GCL0.71
AIN2-(ACETYLOXY)BENZOIC ACIDA2QQT0.71
AIN2-(ACETYLOXY)BENZOIC ACIDA1TGM0.71
AIN2-(ACETYLOXY)BENZOIC ACIDA2G5J0.71
AIN2-(ACETYLOXY)BENZOIC ACIDA1OXR0.71
AIN2-(ACETYLOXY)BENZOIC ACIDA3HWY0.71
LY22-MORPHOLIN-4-YL-7-PHENYL-4H-CHROMEN-
4-ONE		A1YI30.72
LY22-MORPHOLIN-4-YL-7-PHENYL-4H-CHROMEN-
4-ONE		A1E7V0.72
TON2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOLA,B1SEZ0.7
VNL4-HYDROXY-3-METHOXYBENZOATEA,B,C,D2AHC0.77
VNL4-HYDROXY-3-METHOXYBENZOATEA1XLR0.77
C61(2R,4S,5S,7S)-5-AMINO-N-BUTYL-4-
HYDROXY-7-[4-METHOXY-3-(3-METHOXYPROPOXY)BENZYL]-
2,8-DIMETHYLNONANAMIDE		C,O2V100.73
R02{4-[((1S,2S)-2-{[ALLYL(CYCLOPROPYL)AMINO]METHYL}CYCLOPROPYL)METHOXY]PHENYL}(4-
BROMOPHENYL)METHANONE		A,B,C1H370.75
3002-FORMYL-6-METHOXYPHENYL DIHYDROGEN PHOSPHATEA1O410.76
DDC7-HYDROXY-2-PHENYL-CHROMAN-4-ONEA,B1FM80.7
1831-((2-HYDROXYETHOXY)METHYL)-5-(3-
(BENZYLOXY)BENZYL)PYRIMIDINE-2,4(1H,3H)-
DIONE		A,B,C,D,E,F1U1F0.7
4SR(4S)-4-[3-(CYCLOPENTYLOXY)-4-METHOXYPHENYL]PYRROLIDIN-
2-ONE		A,B1XN00.75
TDS8-HYDROXY-5,7-DIMETHOXY-3-METHYL-
2-TRIDECYL-4H-CHROMEN-4-ONE		A,B,C,D,L,R1Q900.73
TDS8-HYDROXY-5,7-DIMETHOXY-3-METHYL-
2-TRIDECYL-4H-CHROMEN-4-ONE		A,B,C,D,G2E760.73
TDS8-HYDROXY-5,7-DIMETHOXY-3-METHYL-
2-TRIDECYL-4H-CHROMEN-4-ONE		A,B,C,D,E,N,
O,P,Q,R		1VF50.73
5PP5-PENTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B360.7
8PS5-OCTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B370.7
8MOMETHOXSALENA,B,C,D1Z110.7
CTX(Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)-
PHENOXY]-N,N-DIMETHYLETHANAMINE		A,B,C1YA40.72
MAXMATAIRESINOLA2BGM0.72
DH2(2S,3S)-2-(3,4-DIHYDROXYPHENYL)-
3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H-
CHROMEN-4-ONE		A1GP50.7
DH2(2S,3S)-2-(3,4-DIHYDROXYPHENYL)-
3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H-
CHROMEN-4-ONE		A1GP60.7
TXF(Z)-4-(1-{4-[2-(DIMETHYLAMINO)ETHOXY]PHENYL}-
5-HYDROXY-2-PHENYLPENT-1-ENYL)PHENOL		A,B,C,D,E2EWP0.7
SIGSTIGMATELLINC,D,E2BCC0.73
SIGSTIGMATELLINC,D,E3BCC0.73
4MP1-(4-METHOXYBENZOYL)-2-PYRROLIDINONEA,B2AL50.75
MPB4-HYDROXY-BENZOIC ACID METHYL ESTERB,C,D2VK00.71
MPB4-HYDROXY-BENZOIC ACID METHYL ESTERA,B,D3MTH0.71
ROLROLIPRAMA,B,C,D1OYN0.75
ROLROLIPRAMA,B1XMY0.75
ROLROLIPRAMA,B,C,D1Q9M0.75
ROLROLIPRAMA,B1RO60.75
ROLROLIPRAMA,B1XN00.75
ROLROLIPRAMA,B1TBB0.75
NBF[(2-ETHOXY-1-NAPHTHOYL)AMINO]METHYLBORONIC ACIDA1NY00.72
NBF[(2-ETHOXY-1-NAPHTHOYL)AMINO]METHYLBORONIC ACIDA,B1YMS0.72
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
BZFBENZOFURANA182L0.72
TRTFRAGMENT OF TRITON X-100A,E2I0U0.71
TRTFRAGMENT OF TRITON X-100A,B1OIZ0.71
EMFethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylateA,B2QZZ0.73
EMFethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylateA,B2R2G0.73
AC6P-HYDROXYACETOPHENONEA2GQ80.71
AC6P-HYDROXYACETOPHENONEX2O480.71
MGImethyl 4-(2,3-dihydroxy-5-methylphenoxy)-
2-hydroxy-6-methylbenzoate		A2ZA00.72
CX62,3,6A,7,8,9-HEXAHYDRO-11H-[1,4]DIOXINO[2,3-
G]PYRROLO[2,1-B][1,3]BENZOXAZIN-
11-ONE		A,B,C,D,E,F2AL40.7
FSE3,7,3',4'-TETRAHYDROXYFLAVONEB1XO20.7
SYRSYRINGATEA,B1WB50.74
LZP4,4'-piperazine-1,4-diylbis{1-[3-
(benzyloxy)phenyl]-4-oxobutane-
1,3-dione}		A3EAX0.73
MPP3-(3,4-DIMETHOXYPHENYL)PROPIONIC ACIDA,B2AY30.76
HWGN-(TERT-BUTYL)-3,5-DIMETHYL-N'-
[(5-METHYL-2,3-DIHYDRO-1,4-BENZODIOXIN-
6-YL)CARBONYL]BENZOHYDRAZIDE		A,D1R200.73
E201-BENZYL-4-[(5,6-DIMETHOXY-1-INDANON-
2-YL)METHYL]PIPERIDINE		A1EVE0.81
R71[4-({6-[ALLYL(METHYL)AMINO]HEXYL}OXY)-
2-FLUOROPHENYL](4-BROMOPHENYL)METHANONE		A1W6J0.79
R71[4-({6-[ALLYL(METHYL)AMINO]HEXYL}OXY)-
2-FLUOROPHENYL](4-BROMOPHENYL)METHANONE		A,B,C1GSZ0.79
3MB3-METHOXYBENZAMIDEA3PAX0.75
Y124-{(1E)-3-OXO-3-[(2-PHENYLETHYL)AMINO]PROP-
1-EN-1-YL}-1,2-PHENYLENE DIACETATE		A2EW50.73
SMASTIGMATELLIN AA,C,D,E,N,P,
Q,R		3H1I0.74
SMASTIGMATELLIN AA,B,C,D,E,F,
G,O,P,Q,R,S,T		1PPJ0.74
SMASTIGMATELLIN AA,C,D,E,L,N,
O,P,W		3CXH0.74
SMASTIGMATELLIN AC,D,E,P,Q,R1ZRT0.74
SMASTIGMATELLIN AC,H,L,M2JBL0.74
SMASTIGMATELLIN AA,B,C,D,E,F,
G,I,N,O,P,Q,
R,S,T,U,V,W		2A060.74
SMASTIGMATELLIN AA,B,C,D,E,F,
G,H,I,J,K,L		2QJP0.74
SMASTIGMATELLIN AA,C,D,E1KB90.74
SMASTIGMATELLIN AA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R		2QJK0.74
SMASTIGMATELLIN AA,B,C,D,E,F,
G,N,O,P,Q,R,
S,T		1PP90.74
SMASTIGMATELLIN AC,D,E2IBZ0.74
SMASTIGMATELLIN AA,C,D,E,L,N,
O,P,W		3CX50.74
SMASTIGMATELLIN AA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R		2FYN0.74
SMASTIGMATELLIN AA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R		2QJY0.74
SMASTIGMATELLIN AC,D,E1EZV0.74
SMASTIGMATELLIN AC,D,E,N,O,P,W1KYO0.74
SMASTIGMATELLIN AA,C,D,E,G,N,
P,Q,R,S		3H1J0.74
SMASTIGMATELLIN AC,D,E1SQX0.74
TMSN-PROPYL-4-[(E)-2-(3,4,5-TRIMETHOXY-
PHENYL)-VINYL]-BENZAMIDE		A,B1X6W0.72
DQH(2R,3R)-2-(3,4-DIHYDROXYPHENYL)-
3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H-
CHROMEN-4-ONE		A1GP50.7
DQH(2R,3R)-2-(3,4-DIHYDROXYPHENYL)-
3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H-
CHROMEN-4-ONE		D,F2C290.7