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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00005775

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
HPSPHENYL DIHYDROGEN PHOSPHATEA1O4O0.73
OHP(2-HYDROXYPHENYL)ACETIC ACIDA2INZ0.76
DHCCAFFEIC ACIDA,B,C,D,E,F,
G,H
2O7D0.77
DHCCAFFEIC ACIDA1KOU0.77
EZT(17BETA)-17-{(E)-2-[2-(TRIFLUOROMETHYL)PHENYL]VINYL}ESTRA-
1(10),2,4-TRIENE-3,17-DIOL
A,B2P150.73
4HL4-(HYDRAZINOMETHYL)PHENOLA,B2E2U0.74
AC6P-HYDROXYACETOPHENONEA2GQ80.75
AC6P-HYDROXYACETOPHENONEX2O480.75
1963-(3-FLUORO-4-HYDROXYPHENYL)-7-
HYDROXY-1-NAPHTHONITRILE
A,B1YYE0.7
R129-(4-HYDROXY-2,6-DIMETHYL-PHENYL)-
3,7-DIMETHYL-NONA-4,6,8-TRIENOIC ACID
A3CBS0.75
SAL2-HYDROXYBENZOIC ACIDA2I2Z0.72
SAL2-HYDROXYBENZOIC ACIDA,B,C1FIQ0.72
SAL2-HYDROXYBENZOIC ACIDA2I300.72
SAL2-HYDROXYBENZOIC ACIDA,B1PTH0.72
SAL2-HYDROXYBENZOIC ACIDA,B3DEU0.72
SAL2-HYDROXYBENZOIC ACIDA,B,C,D2E1Q0.72
SAL2-HYDROXYBENZOIC ACIDA,B3HGX0.72
SAL2-HYDROXYBENZOIC ACIDA,B3BPX0.72
SAL2-HYDROXYBENZOIC ACIDA1WYG0.72
SAL2-HYDROXYBENZOIC ACIDA1JGS0.72
SAL2-HYDROXYBENZOIC ACIDX1M6E0.72
SAL2-HYDROXYBENZOIC ACIDA3B9M0.72
SAL2-HYDROXYBENZOIC ACIDA,B1FO40.72
SAL2-HYDROXYBENZOIC ACIDA,B1Y7I0.72
SAL2-HYDROXYBENZOIC ACIDA,B2FN10.72
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
OBZO-benzylhydroxylamineA,B3DTH0.71
OBZO-benzylhydroxylamineA,B3DTG0.71
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.8
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.8
TOH(3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT-
3-ENOIC ACID
A2IME0.77
TOH(3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT-
3-ENOIC ACID
A2IMD0.77
IOL4-IODOPHENOLA,B1EWA0.82
DIN1,6-DIHYDROXY NAPHTHALENEA1ZB60.77
3FA3-FLUOROBENZENE-1,2-DIOLA2AS40.8
AHT4-(2,5-DIAMINO-5-HYDROXY-PENTYL)-
PHENOL
I,T1TMB0.71
LDPL-DOPAMINEA,B2A3R0.72
LDPL-DOPAMINEA5PAH0.72
LDPL-DOPAMINEA,B2QMZ0.72
LDPL-DOPAMINEA,B2VQ50.72
CRSM-CRESOLA,B,C,D1EV30.89
CRSM-CRESOLA,B,C,D,E,F2OMG0.89
CRSM-CRESOLA,B1UZ90.89
CRSM-CRESOLA,B,C,D1ZEH0.89
CRSM-CRESOLA,B,C,D,E,F1ZEI0.89
CRSM-CRESOLA,C,D,E7INS0.89
CRSM-CRESOLA,B,C,D,E,G,
I,K
1EV60.89
BPYBIPHENYL-2,3-DIOLA1KMY0.77
BPYBIPHENYL-2,3-DIOLB1KW80.77
BPYBIPHENYL-2,3-DIOLA2EI30.77
BPYBIPHENYL-2,3-DIOLA1EIR0.77
BPYBIPHENYL-2,3-DIOLB1KW60.77
BPYBIPHENYL-2,3-DIOLB1KWC0.77
BPYBIPHENYL-2,3-DIOLB1KW90.77
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A2OPA0.87
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A,B,C1MFI0.87
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A,B1GYY0.87
BPZ4,4'-cyclohexane-1,1-diyldiphenolA2ZKC0.78
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.82
AEF4-(2-aminoethyl)phenolA3BRA0.8
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGT0.73
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG20.73
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B2AN40.73
OACTRANS-O-HYDROXY-ALPHA-METHYL CINNAMATEC3GCH0.73
FP22-fluorophenolA3CPO0.86
IOB3-IODO-BENZYL ALCOHOLA,B1QK00.76
2MP3,4-DIMETHYLPHENOLA1L5O0.86
EUG2-METHOXY-4-VINYL-PHENOLA2QU90.75
EUG2-METHOXY-4-VINYL-PHENOLA,B1QLU0.75
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1J0.75
EUG2-METHOXY-4-VINYL-PHENOLA,B2VAO0.75
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1K0.75
EUG2-METHOXY-4-VINYL-PHENOLA,B1DZN0.75
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1L0.75
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1M0.75
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D3E5U0.7
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B3E6B0.7
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D3E5X0.7
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B2H6B0.7
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDC3E6C0.7
HHH(2S)-hydroxy(4-hydroxyphenyl)ethanoic acidA,B2R5V0.71
3CH3-CHLOROPHENOLA1LI30.76
ETC(R,R)-5,11-CIS-DIETHYL-5,6,11,12-
TETRAHYDROCHRYSENE-2,8-DIOL
A,B1L2I0.73
ETC(R,R)-5,11-CIS-DIETHYL-5,6,11,12-
TETRAHYDROCHRYSENE-2,8-DIOL
A,B1L2J0.73
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.8
TH04-MERCAPTOBENZENE-1,3-DIOLA2OSF0.7
2BR2-BROMOPHENOLA,B,C,D2A9W0.76
2LP2-ALLYLPHENOLA1OV50.88
OMD2-(3,6-DIHYDROXYPHENYL)ACETIC ACIDA,B1AJP0.7
IHB3-IODO-4-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCI0.72
BPM4-PHOSPHONOOXY-PHENYL-METHYL-[4-
PHOSPHONOOXY]BENZEN
A1AAX0.73
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B1QV70.81
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B,C,D1MG00.81
ETY4-ethylphenolA,B,C,D2RA60.9
SN12,4-DIHYDROXY-TRANS CINNAMIC ACID11K2I0.76
269(1R)-3-chloro-1-phenylpropan-1-
ol
A2RBS0.71
ANFANTHRONEH2BJM0.73
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQR0.71
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQS0.71
HC4A1TS60.84
HC4A3PHY0.84
HC4A3PYP0.84
HC4A1T1C0.84
HC4A1OT60.84
HC4A1TS00.84
HC4A1T1A0.84
HC4A2PYP0.84
HC4A2ZOI0.84
HC4A1OTI0.84
HC4A1XFQ0.84
HC4A2D010.84
HC4A,B,C,D,E,F,
G,H
2O7B0.84
HC4A2ZOH0.84
HC4A1GSW0.84
HC4A2QJ70.84
HC4A1F9I0.84
HC4X1UWP0.84
HC4A2PHY0.84
HC4A1T1B0.84
HC4A1F980.84
HC4A1T190.84
HC4X1UWN0.84
HC4A,B,C,D,E,F,
G,H
2O7F0.84
HC4A1UGU0.84
HC4A1TS80.84
HC4A,B1OTD0.84
HC4A1OTE0.84
HC4A1GSX0.84
HC4A1TS70.84
HC4A2PYR0.84
HC4A1S4S0.84
HC4A1GSV0.84
HC4A2I9V0.84
HC4A2QWS0.84
HC4A1XFN0.84
HC4A1S4R0.84
HC4A1T180.84
HC4A1OTA0.84
HC4A1D7E0.84
HC4A1S1Z0.84
HC4A,B,C1MZU0.84
HC4A,B1ODV0.84
HC4A,B2J3J0.84
HC4A2QJ50.84
HC4A1OTB0.84
HC4A2D020.84
HC4A1OT90.84
HC4A1NWZ0.84
HC4A1S1Y0.84
3HB3-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCB0.74
3HB3-HYDROXYBENZOIC ACIDA2DKH0.74
BP71,1'-BIPHENYL-3,4-DIOLA2EI00.78
LJ22,6-dibromo-4-[(E)-2-phenylethenyl]phenolA,B3CN10.77
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.81
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.81
BML4-BROMOPHENOLA,B,E3DHH0.76
BML4-BROMOPHENOLA,B1XU30.76
BML4-BROMOPHENOLA,B1T0S0.76
2HC(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACIDA,B1V5Z0.81
2CH2-CHLOROPHENOLA1WBO0.74
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.84
DESDIETHYLSTILBESTROLA,B3ERD0.84
DESDIETHYLSTILBESTROLA,B1TT60.84
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.84
STLRESVERATROLA,B3CKL0.81
STLRESVERATROLA,B,C,D1U0W0.81
STLRESVERATROLA1CGZ0.81
STLRESVERATROLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N
2JIZ0.81
STLRESVERATROLA1Z1F0.81
STLRESVERATROLA1DVS0.81
STLRESVERATROLA,B1SG00.81
IPHPHENOLA,B2OLD0.85
IPHPHENOLA,B,C,D2PZV0.85
IPHPHENOLA1LI20.85
IPHPHENOLA2J9N0.85
IPHPHENOLA,B,C,D2OMB0.85
IPHPHENOLA1JHX0.85
IPHPHENOLA,B,C,D2VE70.85
IPHPHENOLB,D,E,G,H,J,L1AI00.85
IPHPHENOLA,B,C,D1FOH0.85
IPHPHENOLA1V030.85
IPHPHENOLA,C,E,G,I,K5AIY0.85
IPHPHENOLB,D,F,H,J,L1AIY0.85
IPHPHENOLA,B1XU50.85
IPHPHENOLA,B,C,D,E,G,
I,K
1W8P0.85
IPHPHENOLA,C,E,G,I,K4AIY0.85
IPHPHENOLA,B,C,D,E,F,
G,H
1XDA0.85
IPHPHENOLA2AS30.85
IPHPHENOLA,B,C,D1ZEG0.85
IPHPHENOLA,B,C,D1PN00.85
IPHPHENOLA,B,C,D1XW70.85
IPHPHENOLA,C,E,G,I,K,M1QIY0.85
IPHPHENOLA,B,C,D1Q4V0.85
IPHPHENOLB1AI70.85
IPHPHENOLA1FJW0.85
IPHPHENOLB,C,D1RWE0.85
IPHPHENOLA,B,C,D,E,G,
H,I,K
1ZNJ0.85
IPHPHENOLB,C,D3GKY0.85
IPHPHENOLA1JHY0.85
IPHPHENOLA,C,E,G,I,K3AIY0.85
IPHPHENOLA,B2OMN0.85
IPHPHENOLA,C,E,G,I,K2AIY0.85
IPHPHENOLA,B,D1MPJ0.85
IPHPHENOLA,B,C,D,F,G,
H,J
1WAV0.85
IPHPHENOLB,C,D1LPH0.85
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.84
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
CAQCATECHOLB2BUY0.79
CAQCATECHOLA1KND0.79
CAQCATECHOLB2BUQ0.79
CAQCATECHOLA,B1DLT0.79
CAQCATECHOLA1XEP0.79
CAQCATECHOLA2PUM0.79
OBPA,B2DE30.72
4HP4-HYDROXYPHENYLACETATEA,B,C,D2JBT0.79
4HP4-HYDROXYPHENYLACETATEA2YYJ0.79
4HP4-HYDROXYPHENYLACETATEA2YYM0.79
4HP4-HYDROXYPHENYLACETATEB1AI60.79
4HP4-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCG0.79
43M4-CHLORO-3-METHYLPHENOLA2P7A0.8
HTS2-MERCAPTOPHENOLA2OSM0.76
PFB2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOLA,B1MGO0.72
PFB2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOLA,B1HLD0.72
PHBP-HYDROXYBENZOIC ACIDA1CJ40.75
PHBP-HYDROXYBENZOIC ACIDA1DOB0.75
PHBP-HYDROXYBENZOIC ACIDA1PXB0.75
PHBP-HYDROXYBENZOIC ACIDA,B1G1B0.75
PHBP-HYDROXYBENZOIC ACIDA,B1YKJ0.75
PHBP-HYDROXYBENZOIC ACIDA1IUV0.75
PHBP-HYDROXYBENZOIC ACIDA1PBE0.75
PHBP-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCC0.75
PHBP-HYDROXYBENZOIC ACIDA1PDH0.75
PHBP-HYDROXYBENZOIC ACIDB2BUW0.75
PHBP-HYDROXYBENZOIC ACIDA1CC40.75
PHBP-HYDROXYBENZOIC ACIDA1CC60.75
PHBP-HYDROXYBENZOIC ACIDA1IUW0.75
PHBP-HYDROXYBENZOIC ACIDA1FW90.75
PHBP-HYDROXYBENZOIC ACIDA1G810.75
PHBP-HYDROXYBENZOIC ACIDA1BGJ0.75
PHBP-HYDROXYBENZOIC ACIDA1IUX0.75
PHBP-HYDROXYBENZOIC ACIDA1CJ30.75
PHBP-HYDROXYBENZOIC ACIDA1D7L0.75
PHBP-HYDROXYBENZOIC ACIDA2PHH0.75
PHBP-HYDROXYBENZOIC ACIDA1BGN0.75
PHBP-HYDROXYBENZOIC ACIDA1PXA0.75
PHBP-HYDROXYBENZOIC ACIDA1DOC0.75
PHBP-HYDROXYBENZOIC ACIDA1K0I0.75
PHBP-HYDROXYBENZOIC ACIDA1BKW0.75
PHBP-HYDROXYBENZOIC ACIDA1JD30.75
PHBP-HYDROXYBENZOIC ACIDA1PXC0.75
PHBP-HYDROXYBENZOIC ACIDA1TT80.75
PHBP-HYDROXYBENZOIC ACIDA1CJ20.75
PHBP-HYDROXYBENZOIC ACIDA,B1Q4S0.75
PHBP-HYDROXYBENZOIC ACIDA1BF30.75
PHBP-HYDROXYBENZOIC ACIDB2BUR0.75
HBAP-HYDROXYBENZALDEHYDEA1K030.76
HBAP-HYDROXYBENZALDEHYDEA,B2VQ50.76
HBAP-HYDROXYBENZALDEHYDEA,B1EB90.76
HBAP-HYDROXYBENZALDEHYDEA2GQ90.76
HBAP-HYDROXYBENZALDEHYDEA,B1Z420.76
HBAP-HYDROXYBENZALDEHYDEA1OYB0.76
FHB3-FLUORO-4-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCF0.76
MNN(S)-MANDELIC ACID NITRILEA1YB60.72
PITPICEATANNOLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N
2JJ10.76
DBEbis(4-hydroxyphenyl)methanoneA2VKU0.72
ENO3-(4-HYDROXY-PHENYL)PYRUVIC ACIDH,I1A2C0.76
ENO3-(4-HYDROXY-PHENYL)PYRUVIC ACIDA,B,C1CA70.76
ENO3-(4-HYDROXY-PHENYL)PYRUVIC ACIDA,B,C,D3GGO0.76
FPN4-FLUOROPHENOLA,B1XVD0.86
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E0Y1
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E8G1
341(3,5-difluorophenyl)methanolC3EON0.8
SGI3-(4-hydroxyphenyl)propanamideA,B2R9K0.75
D1NNAPHTHALENE-1,2-DIOLA2EI10.75
MBD3-METHYLCATECHOLA1KNF0.82
LJ33,5-dibromobiphenyl-4-olA,B3CN20.73
BHQ2,5-DITERT-BUTYLBENZENE-1,4-DIOLA,B2AGV0.75
4FA4-FLUOROPHENETHYL ALCOHOLA1OWZ0.72
12M(2-ETHYLPHENYL)METHANOLA,B2F620.73
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.82
MXN(2R)-hydroxy(phenyl)ethanenitrileA,B3GDN0.72
MCT4-METHYLCATECHOLA1L4G0.84
MCT4-METHYLCATECHOLA2EHZ0.84
MCT4-METHYLCATECHOLA,B1DMH0.84
PCRP-CRESOLA1JHV0.93
PCRP-CRESOLA1JHU0.93
PCRP-CRESOLA,B,C,D1DIQ0.93
FFP2,6-DIFLUOROPHENOLA2INX0.86
24B(2,4-DIFLUOROPHENYL)METHANOLA,B1QV60.81
DHR(2S)-HYDROXY(4-HYDROXYPHENYL)ETHANENITRILEA,B1E550.79
BRBPARA-BROMOBENZYL ALCOHOLA,B1HLD0.7
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,D1Y0G0.83
AEH4-(2-aminoethyl)-2-ethylphenolA3BUG0.76
EYK2-tert-butylbenzene-1,4-diolD,F3EYM0.79
EYK2-tert-butylbenzene-1,4-diolB3EYK0.79
3HP3-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCE0.74
SS2(1R)-1-PHENYLETHANOLA1ZK00.75
SS2(1R)-1-PHENYLETHANOLA1ZJZ0.75
SS2(1R)-1-PHENYLETHANOLA1ZJY0.75
EPTHEPTANYL-P-PHENOLA,B1AHZ0.87
HPPHYDROXYPHENYL PROPIONIC ACIDA,B2TPL0.8
HPPHYDROXYPHENYL PROPIONIC ACIDA,B,C,D3GGP0.8
OX54-HYDROXYBENZALDEHYDE O-(3,3-DIMETHYLBUTANOYL)OXIMEA,B,C2OOZ0.71
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
1NP1-NAPHTHOLX2ZVQ0.78
AED4-(2-aminoethyl)-2-cyclohexylphenolA3BUH0.73
PEL2-PHENYL-ETHANOLA,B1I0D0.7
PEL2-PHENYL-ETHANOLD,H2I0T0.7
PEL2-PHENYL-ETHANOLA,B1HZY0.7
PEL2-PHENYL-ETHANOLA,B1I0B0.7
PEL2-PHENYL-ETHANOLA1EYW0.7
PEL2-PHENYL-ETHANOLA,B1JGM0.7
AEG4-[(2R)-2-aminopropyl]phenolA3BUF0.77
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL
A1YSG0.81
PYGBENZENE-1,2,3-TRIOLA,B,C,D,E,F,
G,H,I,J,K,L
1TI40.74
PYGBENZENE-1,2,3-TRIOLM,N,O,P,Q,R,
S,T,U,V,W,X
1VLE0.74