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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02316685

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
DRQ(9ALPHA,13BETA,17BETA)-2-[(1Z)-
BUT-1-EN-1-YL]ESTRA-1,3,5(10)-TRIENE-
3,17-DIOL
A,B2G5O0.73
FP22-fluorophenolA3CPO0.72
MNN(S)-MANDELIC ACID NITRILEA1YB60.79
5PP5-PENTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B360.71
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.81
8PS5-OCTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B370.71
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG20.73
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG10.73
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RH00.73
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGU0.73
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGT0.73
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL
A1YSG0.84
SRL[2-(3,5-DI-TERT-BUTYL-4-HYDROXY-
PHENYL)-1-(DIETHOXY-PHOSPHORYL)-
VINYL]-PHOSPHONIC ACID DIETHLYL ESTER
A1ILH0.71
SRL[2-(3,5-DI-TERT-BUTYL-4-HYDROXY-
PHENYL)-1-(DIETHOXY-PHOSPHORYL)-
VINYL]-PHOSPHONIC ACID DIETHLYL ESTER
A,B1NRL0.71
BP32'-CHLORO-BIPHENYL-2,3-DIOLA1LGT0.74
OMD2-(3,6-DIHYDROXYPHENYL)ACETIC ACIDA,B1AJP0.73
DIN1,6-DIHYDROXY NAPHTHALENEA1ZB60.78
1784-(4-HYDROXY-3-ISOPROPYLPHENYLTHIO)-
2-ISOPROPYLPHENOL
A,B1TVE0.73
ESTESTRADIOLA,B1GWR0.72
ESTESTRADIOLA1FDS0.72
ESTESTRADIOLA,B,C1G500.72
ESTESTRADIOLA,B,C,D,E,F1ERE0.72
ESTESTRADIOLA,B1A520.72
ESTESTRADIOLA1FDT0.72
ESTESTRADIOLA2OCF0.72
ESTESTRADIOLA,B,C1QKU0.72
ESTESTRADIOLA,B,C,D,L1E6W0.72
ESTESTRADIOLA1IOL0.72
ESTESTRADIOLH1JNN0.72
ESTESTRADIOLB1QKT0.72
ESTESTRADIOLA1FDW0.72
ESTESTRADIOLA,B1AQU0.72
ESTESTRADIOLA1LHU0.72
ESTESTRADIOLA1A270.72
ESTESTRADIOLL1JGL0.72
ESTESTRADIOLA,B,E,F1PCG0.72
ESTESTRADIOLA,B,C,D1FDU0.72
ESTESTRADIOLA2J7X0.72
ESTESTRADIOLA,B2D060.72
AED4-(2-aminoethyl)-2-cyclohexylphenolA3BUH0.76
DBEbis(4-hydroxyphenyl)methanoneA2VKU0.71
3HB3-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCB0.7
3HB3-HYDROXYBENZOIC ACIDA2DKH0.7
EUG2-METHOXY-4-VINYL-PHENOLA2QU90.73
EUG2-METHOXY-4-VINYL-PHENOLA,B1QLU0.73
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1J0.73
EUG2-METHOXY-4-VINYL-PHENOLA,B2VAO0.73
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1K0.73
EUG2-METHOXY-4-VINYL-PHENOLA,B1DZN0.73
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1L0.73
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1M0.73
ENO3-(4-HYDROXY-PHENYL)PYRUVIC ACIDH,I1A2C0.72
ENO3-(4-HYDROXY-PHENYL)PYRUVIC ACIDA,B,C1CA70.72
ENO3-(4-HYDROXY-PHENYL)PYRUVIC ACIDA,B,C,D3GGO0.72
BPM4-PHOSPHONOOXY-PHENYL-METHYL-[4-
PHOSPHONOOXY]BENZEN
A1AAX0.72
PITPICEATANNOLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N
2JJ10.72
BPZ4,4'-cyclohexane-1,1-diyldiphenolA2ZKC0.78
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGT0.73
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG20.73
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B2AN40.73
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.82
OBPA,B2DE30.74
DHR(2S)-HYDROXY(4-HYDROXYPHENYL)ETHANENITRILEA,B1E550.84
BP62',6'-DICHLORO-BIPHENYL-2,6-DIOLA1LKD0.73
EYK2-tert-butylbenzene-1,4-diolD,F3EYM0.86
EYK2-tert-butylbenzene-1,4-diolB3EYK0.86
LZ25-hydroxynaphthalene-1-sulfonamideA2VTH0.71
2LP2-ALLYLPHENOLA1OV50.87
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.81
PCRP-CRESOLA1JHV0.83
PCRP-CRESOLA1JHU0.83
PCRP-CRESOLA,B,C,D1DIQ0.83
IPHPHENOLA,B2OLD0.74
IPHPHENOLA,B,C,D2PZV0.74
IPHPHENOLA1LI20.74
IPHPHENOLA2J9N0.74
IPHPHENOLA,B,C,D2OMB0.74
IPHPHENOLA1JHX0.74
IPHPHENOLA,B,C,D2VE70.74
IPHPHENOLB,D,E,G,H,J,L1AI00.74
IPHPHENOLA,B,C,D1FOH0.74
IPHPHENOLA1V030.74
IPHPHENOLA,C,E,G,I,K5AIY0.74
IPHPHENOLB,D,F,H,J,L1AIY0.74
IPHPHENOLA,B1XU50.74
IPHPHENOLA,B,C,D,E,G,
I,K
1W8P0.74
IPHPHENOLA,C,E,G,I,K4AIY0.74
IPHPHENOLA,B,C,D,E,F,
G,H
1XDA0.74
IPHPHENOLA2AS30.74
IPHPHENOLA,B,C,D1ZEG0.74
IPHPHENOLA,B,C,D1PN00.74
IPHPHENOLA,B,C,D1XW70.74
IPHPHENOLA,C,E,G,I,K,M1QIY0.74
IPHPHENOLA,B,C,D1Q4V0.74
IPHPHENOLB1AI70.74
IPHPHENOLA1FJW0.74
IPHPHENOLB,C,D1RWE0.74
IPHPHENOLA,B,C,D,E,G,
H,I,K
1ZNJ0.74
IPHPHENOLB,C,D3GKY0.74
IPHPHENOLA1JHY0.74
IPHPHENOLA,C,E,G,I,K3AIY0.74
IPHPHENOLA,B2OMN0.74
IPHPHENOLA,C,E,G,I,K2AIY0.74
IPHPHENOLA,B,D1MPJ0.74
IPHPHENOLA,B,C,D,F,G,
H,J
1WAV0.74
IPHPHENOLB,C,D1LPH0.74
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.81
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.81
H532-(2,5-DIHYDROXYPHENYL)-6-(HYDROXYMETHYL)OXANE-
3,4,5-TRIOL
A2FF50.72
H532-(2,5-DIHYDROXYPHENYL)-6-(HYDROXYMETHYL)OXANE-
3,4,5-TRIOL
A2FET0.72
LDPL-DOPAMINEA,B2A3R0.75
LDPL-DOPAMINEA5PAH0.75
LDPL-DOPAMINEA,B2QMZ0.75
LDPL-DOPAMINEA,B2VQ50.75
MXN(2R)-hydroxy(phenyl)ethanenitrileA,B3GDN0.79
R129-(4-HYDROXY-2,6-DIMETHYL-PHENYL)-
3,7-DIMETHYL-NONA-4,6,8-TRIENOIC ACID
A3CBS0.77
MCT4-METHYLCATECHOLA1L4G0.8
MCT4-METHYLCATECHOLA2EHZ0.8
MCT4-METHYLCATECHOLA,B1DMH0.8
TOH(3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT-
3-ENOIC ACID
A2IME0.75
TOH(3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT-
3-ENOIC ACID
A2IMD0.75
1NP1-NAPHTHOLX2ZVQ0.81
2MP3,4-DIMETHYLPHENOLA1L5O0.85
4HP4-HYDROXYPHENYLACETATEA,B,C,D2JBT0.75
4HP4-HYDROXYPHENYLACETATEA2YYJ0.75
4HP4-HYDROXYPHENYLACETATEA2YYM0.75
4HP4-HYDROXYPHENYLACETATEB1AI60.75
4HP4-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCG0.75
DHCCAFFEIC ACIDA,B,C,D,E,F,
G,H
2O7D0.73
DHCCAFFEIC ACIDA1KOU0.73
D1NNAPHTHALENE-1,2-DIOLA2EI10.76
HC4A1TS60.75
HC4A3PHY0.75
HC4A3PYP0.75
HC4A1T1C0.75
HC4A1OT60.75
HC4A1TS00.75
HC4A1T1A0.75
HC4A2PYP0.75
HC4A2ZOI0.75
HC4A1OTI0.75
HC4A1XFQ0.75
HC4A2D010.75
HC4A,B,C,D,E,F,
G,H
2O7B0.75
HC4A2ZOH0.75
HC4A1GSW0.75
HC4A2QJ70.75
HC4A1F9I0.75
HC4X1UWP0.75
HC4A2PHY0.75
HC4A1T1B0.75
HC4A1F980.75
HC4A1T190.75
HC4X1UWN0.75
HC4A,B,C,D,E,F,
G,H
2O7F0.75
HC4A1UGU0.75
HC4A1TS80.75
HC4A,B1OTD0.75
HC4A1OTE0.75
HC4A1GSX0.75
HC4A1TS70.75
HC4A2PYR0.75
HC4A1S4S0.75
HC4A1GSV0.75
HC4A2I9V0.75
HC4A2QWS0.75
HC4A1XFN0.75
HC4A1S4R0.75
HC4A1T180.75
HC4A1OTA0.75
HC4A1D7E0.75
HC4A1S1Z0.75
HC4A,B,C1MZU0.75
HC4A,B1ODV0.75
HC4A,B2J3J0.75
HC4A2QJ50.75
HC4A1OTB0.75
HC4A2D020.75
HC4A1OT90.75
HC4A1NWZ0.75
HC4A1S1Y0.75
CRSM-CRESOLA,B,C,D1EV30.86
CRSM-CRESOLA,B,C,D,E,F2OMG0.86
CRSM-CRESOLA,B1UZ90.86
CRSM-CRESOLA,B,C,D1ZEH0.86
CRSM-CRESOLA,B,C,D,E,F1ZEI0.86
CRSM-CRESOLA,C,D,E7INS0.86
CRSM-CRESOLA,B,C,D,E,G,
I,K
1EV60.86
T3O4-[(1S,2R,5S)-4,4,8-TRIMETHYL-3-
OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL
A,B2G440.71
DHY2-(3,4-DIHYDROXYPHENYL)ACETIC ACIDM,N,O,P,Q,R3PCN0.7
DHY2-(3,4-DIHYDROXYPHENYL)ACETIC ACIDB1AI40.7
DHY2-(3,4-DIHYDROXYPHENYL)ACETIC ACIDA,B,C,D1Q0C0.7
DHY2-(3,4-DIHYDROXYPHENYL)ACETIC ACIDA,B1F1V0.7
SS11-PHENYLETHANOLH1UM50.75
AC6P-HYDROXYACETOPHENONEA2GQ80.72
AC6P-HYDROXYACETOPHENONEX2O480.72
EPTHEPTANYL-P-PHENOLA,B1AHZ0.86
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,D1Y0G0.84
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E0Y0.77
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E8G0.77
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.81
DESDIETHYLSTILBESTROLA,B3ERD0.81
DESDIETHYLSTILBESTROLA,B1TT60.81
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.81
BP71,1'-BIPHENYL-3,4-DIOLA2EI00.8
BPYBIPHENYL-2,3-DIOLA1KMY0.81
BPYBIPHENYL-2,3-DIOLB1KW80.81
BPYBIPHENYL-2,3-DIOLA2EI30.81
BPYBIPHENYL-2,3-DIOLA1EIR0.81
BPYBIPHENYL-2,3-DIOLB1KW60.81
BPYBIPHENYL-2,3-DIOLB1KWC0.81
BPYBIPHENYL-2,3-DIOLB1KW90.81
RM24-HYDROXY-N-PROPARGYL-1(R)-AMINOINDANA,B2C660.7
1963-(3-FLUORO-4-HYDROXYPHENYL)-7-
HYDROXY-1-NAPHTHONITRILE
A,B1YYE0.81
SGI3-(4-hydroxyphenyl)propanamideA,B2R9K0.74
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.87
ETC(R,R)-5,11-CIS-DIETHYL-5,6,11,12-
TETRAHYDROCHRYSENE-2,8-DIOL
A,B1L2I0.76
ETC(R,R)-5,11-CIS-DIETHYL-5,6,11,12-
TETRAHYDROCHRYSENE-2,8-DIOL
A,B1L2J0.76
BHQ2,5-DITERT-BUTYLBENZENE-1,4-DIOLA,B2AGV0.84
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.9
ANFANTHRONEH2BJM0.79
17M17-METHYL-17-ALPHA-DIHYDROEQUILENINA,B2B1Z0.72
FPN4-FLUOROPHENOLA,B1XVD0.72
LJ33,5-dibromobiphenyl-4-olA,B3CN20.73
12M(2-ETHYLPHENYL)METHANOLA,B2F620.73
MBD3-METHYLCATECHOLA1KNF0.83
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.84
HPPHYDROXYPHENYL PROPIONIC ACIDA,B2TPL0.76
HPPHYDROXYPHENYL PROPIONIC ACIDA,B,C,D3GGP0.76
ETY4-ethylphenolA,B,C,D2RA60.85
ESLESTRIOLA1X8V0.7
STLRESVERATROLA,B3CKL0.77
STLRESVERATROLA,B,C,D1U0W0.77
STLRESVERATROLA1CGZ0.77
STLRESVERATROLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N
2JIZ0.77
STLRESVERATROLA1Z1F0.77
STLRESVERATROLA1DVS0.77
STLRESVERATROLA,B1SG00.77
E3O(16ALPHA,17ALPHA)-ESTRA-1,3,5(10)-
TRIENE-3,16,17-TRIOL
A2J7Y0.7
AEG4-[(2R)-2-aminopropyl]phenolA3BUF0.78
OHP(2-HYDROXYPHENYL)ACETIC ACIDA2INZ0.75
3HP3-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCE0.75
43M4-CHLORO-3-METHYLPHENOLA2P7A0.76
IOL4-IODOPHENOLA,B1EWA0.72
AEF4-(2-aminoethyl)phenolA3BRA0.78
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQR0.77
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQS0.77
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A2OPA0.73
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A,B,C1MFI0.73
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A,B1GYY0.73
OACTRANS-O-HYDROXY-ALPHA-METHYL CINNAMATEC3GCH0.76
LNRL-NOREPINEPHRINEA,B2QEO0.7
LNRL-NOREPINEPHRINEA3DYE0.7
LNRL-NOREPINEPHRINEA4PAH0.7
SS2(1R)-1-PHENYLETHANOLA1ZK00.75
SS2(1R)-1-PHENYLETHANOLA1ZJZ0.75
SS2(1R)-1-PHENYLETHANOLA1ZJY0.75
2E3(2E)-3-[4-hydroxy-3-(3,5,5,8,8-
pentamethyl-5,6,7,8-tetrahydronaphthalen-
2-yl)phenyl]prop-2-enoic acid
A3FUG0.72
SN12,4-DIHYDROXY-TRANS CINNAMIC ACID11K2I0.72
5554-(4-HYDROXYPHENYL)-1-NAPHTHALDEHYDE OXIMEA,B2NV70.71
AEH4-(2-aminoethyl)-2-ethylphenolA3BUG0.81
AHT4-(2,5-DIAMINO-5-HYDROXY-PENTYL)-
PHENOL
I,T1TMB0.73
2HC(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACIDA,B1V5Z0.78
55E4-(4-hydroxy-3-methylphenyl)-6-
phenylpyrimidin-2(5H)-one
A3DCV0.72