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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02742296

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
OMD2-(3,6-DIHYDROXYPHENYL)ACETIC ACIDA,B1AJP0.75
43M4-CHLORO-3-METHYLPHENOLA2P7A0.73
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.78
PCRP-CRESOLA1JHV0.79
PCRP-CRESOLA1JHU0.79
PCRP-CRESOLA,B,C,D1DIQ0.79
ETC(R,R)-5,11-CIS-DIETHYL-5,6,11,12-
TETRAHYDROCHRYSENE-2,8-DIOL		A,B1L2I0.7
ETC(R,R)-5,11-CIS-DIETHYL-5,6,11,12-
TETRAHYDROCHRYSENE-2,8-DIOL		A,B1L2J0.7
BPZ4,4'-cyclohexane-1,1-diyldiphenolA2ZKC0.72
TOH(3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT-
3-ENOIC ACID		A2IME0.72
TOH(3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT-
3-ENOIC ACID		A2IMD0.72
HC4A1TS60.72
HC4A3PHY0.72
HC4A3PYP0.72
HC4A1T1C0.72
HC4A1OT60.72
HC4A1TS00.72
HC4A1T1A0.72
HC4A2PYP0.72
HC4A2ZOI0.72
HC4A1OTI0.72
HC4A1XFQ0.72
HC4A2D010.72
HC4A,B,C,D,E,F,
G,H		2O7B0.72
HC4A2ZOH0.72
HC4A1GSW0.72
HC4A2QJ70.72
HC4A1F9I0.72
HC4X1UWP0.72
HC4A2PHY0.72
HC4A1T1B0.72
HC4A1F980.72
HC4A1T190.72
HC4X1UWN0.72
HC4A,B,C,D,E,F,
G,H		2O7F0.72
HC4A1UGU0.72
HC4A1TS80.72
HC4A,B1OTD0.72
HC4A1OTE0.72
HC4A1GSX0.72
HC4A1TS70.72
HC4A2PYR0.72
HC4A1S4S0.72
HC4A1GSV0.72
HC4A2I9V0.72
HC4A2QWS0.72
HC4A1XFN0.72
HC4A1S4R0.72
HC4A1T180.72
HC4A1OTA0.72
HC4A1D7E0.72
HC4A1S1Z0.72
HC4A,B,C1MZU0.72
HC4A,B1ODV0.72
HC4A,B2J3J0.72
HC4A2QJ50.72
HC4A1OTB0.72
HC4A2D020.72
HC4A1OT90.72
HC4A1NWZ0.72
HC4A1S1Y0.72
DIN1,6-DIHYDROXY NAPHTHALENEA1ZB60.77
GRE2,6-DIHYDROXYBENZOIC ACIDA,B,C,D2DVU0.73
MCT4-METHYLCATECHOLA1L4G0.88
MCT4-METHYLCATECHOLA2EHZ0.88
MCT4-METHYLCATECHOLA,B1DMH0.88
2MP3,4-DIMETHYLPHENOLA1L5O0.78
OACTRANS-O-HYDROXY-ALPHA-METHYL CINNAMATEC3GCH0.73
HFL5-(3,3-DIHYDROXYPROPENY)-3-METHOXY-
BENZENE-1,2-DIOL		C,F1KYW0.78
BHQ2,5-DITERT-BUTYLBENZENE-1,4-DIOLA,B2AGV0.8
8PP2-[(2E,6E,10E,14E,18E,22E,26E)-
3,7,11,15,19,23,27,31-OCTAMETHYLDOTRIACONTA-
2,6,10,14,18,22,26,30-OCTAENYL]PHENOL		A,B,C,D1Y0G0.77
DHCCAFFEIC ACIDA,B,C,D,E,F,
G,H		2O7D0.78
DHCCAFFEIC ACIDA1KOU0.78
DHY2-(3,4-DIHYDROXYPHENYL)ACETIC ACIDM,N,O,P,Q,R3PCN0.77
DHY2-(3,4-DIHYDROXYPHENYL)ACETIC ACIDB1AI40.77
DHY2-(3,4-DIHYDROXYPHENYL)ACETIC ACIDA,B,C,D1Q0C0.77
DHY2-(3,4-DIHYDROXYPHENYL)ACETIC ACIDA,B1F1V0.77
TH04-MERCAPTOBENZENE-1,3-DIOLA2OSF0.7
23A2,3-DIHYDROXYBENZALDEHYDEA,B,C,D2DVX0.72
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,E1EZV0.78
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,E1P840.78
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,E2IBZ0.78
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,E1KB90.78
ECS2,3,17BETA-TRIHYDROXY-1,3,5(10)-
ESTRATRIENE		A,B,C,D2BW70.71
DHB3,4-DIHYDROXYBENZOIC ACIDB2BV00.74
DHB3,4-DIHYDROXYBENZOIC ACIDA,B,D,F,H,J,L1YKP0.74
DHB3,4-DIHYDROXYBENZOIC ACIDA1N8Q0.74
DHB3,4-DIHYDROXYBENZOIC ACIDA,B2BSL0.74
DHB3,4-DIHYDROXYBENZOIC ACIDB,D,F,H,J,L1YKL0.74
DHB3,4-DIHYDROXYBENZOIC ACIDB,D1B4U0.74
DHB3,4-DIHYDROXYBENZOIC ACIDA3DX50.74
DHB3,4-DIHYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCA0.74
DHB3,4-DIHYDROXYBENZOIC ACIDB,D,F,H,J,L1YKN0.74
DHB3,4-DIHYDROXYBENZOIC ACIDB1EOB0.74
DHB3,4-DIHYDROXYBENZOIC ACIDA1PHH0.74
DHB3,4-DIHYDROXYBENZOIC ACIDB2BUV0.74
KOM7,8-dihydroxy-4-phenyl-2H-chromen-
2-one		A2ZVJ0.71
EPTHEPTANYL-P-PHENOLA,B1AHZ0.77
D1NNAPHTHALENE-1,2-DIOLA2EI10.79
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL		A1YSG0.77
ALEL-EPINEPHRINEA3PAH0.72
ALEL-EPINEPHRINEA2HKK0.72
4HM4-HYDROPEROXY-2-METHOXY-PHENOLA1HU90.76
BP62',6'-DICHLORO-BIPHENYL-2,6-DIOLA1LKD0.75
PYGBENZENE-1,2,3-TRIOLA,B,C,D,E,F,
G,H,I,J,K,L		1TI40.83
PYGBENZENE-1,2,3-TRIOLM,N,O,P,Q,R,
S,T,U,V,W,X		1VLE0.83
2LP2-ALLYLPHENOLA1OV50.79
DOB2,4-DIHYDROXYBENZOIC ACIDA1DOD0.7
DOB2,4-DIHYDROXYBENZOIC ACIDA1DOE0.7
DOB2,4-DIHYDROXYBENZOIC ACIDA1PBB0.7
SN12,4-DIHYDROXY-TRANS CINNAMIC ACID11K2I0.79
EUG2-METHOXY-4-VINYL-PHENOLA2QU90.78
EUG2-METHOXY-4-VINYL-PHENOLA,B1QLU0.78
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1J0.78
EUG2-METHOXY-4-VINYL-PHENOLA,B2VAO0.78
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1K0.78
EUG2-METHOXY-4-VINYL-PHENOLA,B1DZN0.78
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1L0.78
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1M0.78
MBD3-METHYLCATECHOLA1KNF0.91
DHR(2S)-HYDROXY(4-HYDROXYPHENYL)ETHANENITRILEA,B1E550.72
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.75
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.75
PITPICEATANNOLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N		2JJ10.88
CRSM-CRESOLA,B,C,D1EV30.82
CRSM-CRESOLA,B,C,D,E,F2OMG0.82
CRSM-CRESOLA,B1UZ90.82
CRSM-CRESOLA,B,C,D1ZEH0.82
CRSM-CRESOLA,B,C,D,E,F1ZEI0.82
CRSM-CRESOLA,C,D,E7INS0.82
CRSM-CRESOLA,B,C,D,E,G,
I,K		1EV60.82
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.75
3FA3-FLUOROBENZENE-1,2-DIOLA2AS40.74
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
34D3,5-DIHYDROXYBENZOATEA,B2BX70.76
STLRESVERATROLA,B3CKL0.84
STLRESVERATROLA,B,C,D1U0W0.84
STLRESVERATROLA1CGZ0.84
STLRESVERATROLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N		2JIZ0.84
STLRESVERATROLA1Z1F0.84
STLRESVERATROLA1DVS0.84
STLRESVERATROLA,B1SG00.84
SYRSYRINGATEA,B1WB50.72
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.76
DESDIETHYLSTILBESTROLA,B3ERD0.76
DESDIETHYLSTILBESTROLA,B1TT60.76
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.76
DBH2,3-DIHYDROXY-BENZOIC ACIDA,B,C3CMP0.75
DBH2,3-DIHYDROXY-BENZOIC ACIDA1MD90.75
DBH2,3-DIHYDROXY-BENZOIC ACIDA1MDB0.75
DBH2,3-DIHYDROXY-BENZOIC ACIDA,B,C1L6M0.75
DBH2,3-DIHYDROXY-BENZOIC ACIDA,B,C3BY00.75
ETY4-ethylphenolA,B,C,D2RA60.78
LDPL-DOPAMINEA,B2A3R0.76
LDPL-DOPAMINEA5PAH0.76
LDPL-DOPAMINEA,B2QMZ0.76
LDPL-DOPAMINEA,B2VQ50.76
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
BP71,1'-BIPHENYL-3,4-DIOLA2EI00.82
3HB3-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCB0.71
3HB3-HYDROXYBENZOIC ACIDA2DKH0.71
LNRL-NOREPINEPHRINEA,B2QEO0.75
LNRL-NOREPINEPHRINEA3DYE0.75
LNRL-NOREPINEPHRINEA4PAH0.75
IPHPHENOLA,B2OLD0.71
IPHPHENOLA,B,C,D2PZV0.71
IPHPHENOLA1LI20.71
IPHPHENOLA2J9N0.71
IPHPHENOLA,B,C,D2OMB0.71
IPHPHENOLA1JHX0.71
IPHPHENOLA,B,C,D2VE70.71
IPHPHENOLB,D,E,G,H,J,L1AI00.71
IPHPHENOLA,B,C,D1FOH0.71
IPHPHENOLA1V030.71
IPHPHENOLA,C,E,G,I,K5AIY0.71
IPHPHENOLB,D,F,H,J,L1AIY0.71
IPHPHENOLA,B1XU50.71
IPHPHENOLA,B,C,D,E,G,
I,K		1W8P0.71
IPHPHENOLA,C,E,G,I,K4AIY0.71
IPHPHENOLA,B,C,D,E,F,
G,H		1XDA0.71
IPHPHENOLA2AS30.71
IPHPHENOLA,B,C,D1ZEG0.71
IPHPHENOLA,B,C,D1PN00.71
IPHPHENOLA,B,C,D1XW70.71
IPHPHENOLA,C,E,G,I,K,M1QIY0.71
IPHPHENOLA,B,C,D1Q4V0.71
IPHPHENOLB1AI70.71
IPHPHENOLA1FJW0.71
IPHPHENOLB,C,D1RWE0.71
IPHPHENOLA,B,C,D,E,G,
H,I,K		1ZNJ0.71
IPHPHENOLB,C,D3GKY0.71
IPHPHENOLA1JHY0.71
IPHPHENOLA,C,E,G,I,K3AIY0.71
IPHPHENOLA,B2OMN0.71
IPHPHENOLA,C,E,G,I,K2AIY0.71
IPHPHENOLA,B,D1MPJ0.71
IPHPHENOLA,B,C,D,F,G,
H,J		1WAV0.71
IPHPHENOLB,C,D1LPH0.71
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.74
2HC(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACIDA,B1V5Z0.75
IM3(2E)-3-(3,4-DIHYDROXYPHENYL)-2-
IMINOPROPANOIC ACID		A,B,C,D2E820.7
EYK2-tert-butylbenzene-1,4-diolD,F3EYM0.82
EYK2-tert-butylbenzene-1,4-diolB3EYK0.82
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE		A2OPA0.7
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE		A,B,C1MFI0.7
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE		A,B1GYY0.7
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.74
HPPHYDROXYPHENYL PROPIONIC ACIDA,B2TPL0.71
HPPHYDROXYPHENYL PROPIONIC ACIDA,B,C,D3GGP0.71
SXXSINAPINATEA,B1WB40.76
1NP1-NAPHTHOLX2ZVQ0.75
OHP(2-HYDROXYPHENYL)ACETIC ACIDA2INZ0.72
W294-(3-ethylthiophen-2-yl)benzene-
1,2-diol		A3D270.71
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E0Y0.74
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E8G0.74
8PS5-OCTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B370.73
EGT2-(3,4,5-TRIHYDROXY-PHENYL)-CHROMAN-
3,5,7-TRIOL		A1JNQ0.75
H532-(2,5-DIHYDROXYPHENYL)-6-(HYDROXYMETHYL)OXANE-
3,4,5-TRIOL		A2FF50.79
H532-(2,5-DIHYDROXYPHENYL)-6-(HYDROXYMETHYL)OXANE-
3,4,5-TRIOL		A2FET0.79
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.75
BTTBENZENE-1,2,4,5-TETROLA,B,C,D,E,F,
G,H,I,J,K,L		1TI60.84
BTTBENZENE-1,2,4,5-TETROLM,N,O,P,Q,R,
S,T,U,V,W,X		1VLF0.84
R129-(4-HYDROXY-2,6-DIMETHYL-PHENYL)-
3,7-DIMETHYL-NONA-4,6,8-TRIENOIC ACID		A3CBS0.71
5PP5-PENTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B360.73
CAQCATECHOLB2BUY0.77
CAQCATECHOLA1KND0.77
CAQCATECHOLB2BUQ0.77
CAQCATECHOLA,B1DLT0.77
CAQCATECHOLA1XEP0.77
CAQCATECHOLA2PUM0.77
BP32'-CHLORO-BIPHENYL-2,3-DIOLA1LGT0.76
226naphthalene-1,2,4,5,7-pentolA,B2NZ50.87
3HP3-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCE0.74
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.79
RCORESORCINOLA,B,C,E,F,G,
H,I,J,K		2OLY0.78
RCORESORCINOL1,3,A,B,C,D,
E,G,H,I,K,Q,
R,S,T,U,X,Y		2OM10.78
RCORESORCINOLA,B,C,E,G,H,
I,K		2OLZ0.78
RCORESORCINOLA,B,C,D,E,F2OMH0.78
RCORESORCINOLA,B,C,E,G,H,
I,J,K		2OMI0.78
RCORESORCINOLA,B,C,D,E,G,
I,J,K		1EVR0.78
RCORESORCINOLA,C,E,G,I,K,M1QIZ0.78
RCORESORCINOL1,3,A,B,C,D,
E,G,H,I,K,Q,
R,S,U,X,Y		2OM00.78
BPYBIPHENYL-2,3-DIOLA1KMY0.83
BPYBIPHENYL-2,3-DIOLB1KW80.83
BPYBIPHENYL-2,3-DIOLA2EI30.83
BPYBIPHENYL-2,3-DIOLA1EIR0.83
BPYBIPHENYL-2,3-DIOLB1KW60.83
BPYBIPHENYL-2,3-DIOLB1KWC0.83
BPYBIPHENYL-2,3-DIOLB1KW90.83
GVFBENZENE-1,2,3,4-TETRAYL TETRAKIS[DIHYDROGEN (PHOSPHATE)]A2UVM0.71