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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00024195

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
SS11-PHENYLETHANOLH1UM50.72
BP71,1'-BIPHENYL-3,4-DIOLA2EI00.73
1963-(3-FLUORO-4-HYDROXYPHENYL)-7-
HYDROXY-1-NAPHTHONITRILE
A,B1YYE0.78
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A2OPA0.79
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A,B,C1MFI0.79
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A,B1GYY0.79
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.78
DESDIETHYLSTILBESTROLA,B3ERD0.78
DESDIETHYLSTILBESTROLA,B1TT60.78
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.78
FFP2,6-DIFLUOROPHENOLA2INX0.8
DHR(2S)-HYDROXY(4-HYDROXYPHENYL)ETHANENITRILEA,B1E550.85
3HB3-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCB0.7
3HB3-HYDROXYBENZOIC ACIDA2DKH0.7
43M4-CHLORO-3-METHYLPHENOLA2P7A0.74
IPHPHENOLA,B2OLD0.78
IPHPHENOLA,B,C,D2PZV0.78
IPHPHENOLA1LI20.78
IPHPHENOLA2J9N0.78
IPHPHENOLA,B,C,D2OMB0.78
IPHPHENOLA1JHX0.78
IPHPHENOLA,B,C,D2VE70.78
IPHPHENOLB,D,E,G,H,J,L1AI00.78
IPHPHENOLA,B,C,D1FOH0.78
IPHPHENOLA1V030.78
IPHPHENOLA,C,E,G,I,K5AIY0.78
IPHPHENOLB,D,F,H,J,L1AIY0.78
IPHPHENOLA,B1XU50.78
IPHPHENOLA,B,C,D,E,G,
I,K
1W8P0.78
IPHPHENOLA,C,E,G,I,K4AIY0.78
IPHPHENOLA,B,C,D,E,F,
G,H
1XDA0.78
IPHPHENOLA2AS30.78
IPHPHENOLA,B,C,D1ZEG0.78
IPHPHENOLA,B,C,D1PN00.78
IPHPHENOLA,B,C,D1XW70.78
IPHPHENOLA,C,E,G,I,K,M1QIY0.78
IPHPHENOLA,B,C,D1Q4V0.78
IPHPHENOLB1AI70.78
IPHPHENOLA1FJW0.78
IPHPHENOLB,C,D1RWE0.78
IPHPHENOLA,B,C,D,E,G,
H,I,K
1ZNJ0.78
IPHPHENOLB,C,D3GKY0.78
IPHPHENOLA1JHY0.78
IPHPHENOLA,C,E,G,I,K3AIY0.78
IPHPHENOLA,B2OMN0.78
IPHPHENOLA,C,E,G,I,K2AIY0.78
IPHPHENOLA,B,D1MPJ0.78
IPHPHENOLA,B,C,D,F,G,
H,J
1WAV0.78
IPHPHENOLB,C,D1LPH0.78
MXN(2R)-hydroxy(phenyl)ethanenitrileA,B3GDN0.8
FHB3-FLUORO-4-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCF0.72
2MP3,4-DIMETHYLPHENOLA1L5O0.78
DHCCAFFEIC ACIDA,B,C,D,E,F,
G,H
2O7D0.7
DHCCAFFEIC ACIDA1KOU0.7
DIN1,6-DIHYDROXY NAPHTHALENEA1ZB60.73
PCRP-CRESOLA1JHV0.83
PCRP-CRESOLA1JHU0.83
PCRP-CRESOLA,B,C,D1DIQ0.83
4HP4-HYDROXYPHENYLACETATEA,B,C,D2JBT0.74
4HP4-HYDROXYPHENYLACETATEA2YYJ0.74
4HP4-HYDROXYPHENYLACETATEA2YYM0.74
4HP4-HYDROXYPHENYLACETATEB1AI60.74
4HP4-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCG0.74
BPYBIPHENYL-2,3-DIOLA1KMY0.75
BPYBIPHENYL-2,3-DIOLB1KW80.75
BPYBIPHENYL-2,3-DIOLA2EI30.75
BPYBIPHENYL-2,3-DIOLA1EIR0.75
BPYBIPHENYL-2,3-DIOLB1KW60.75
BPYBIPHENYL-2,3-DIOLB1KWC0.75
BPYBIPHENYL-2,3-DIOLB1KW90.75
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQR0.71
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQS0.71
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGT0.72
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG20.72
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B2AN40.72
2HC(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACIDA,B1V5Z0.79
ETY4-ethylphenolA,B,C,D2RA60.82
IOL4-IODOPHENOLA,B1EWA0.76
AEF4-(2-aminoethyl)phenolA3BRA0.76
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.79
FPN4-FLUOROPHENOLA,B1XVD0.82
D1NNAPHTHALENE-1,2-DIOLA2EI10.71
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-NAPHTHOLX2ZVQ0.76
24B(2,4-DIFLUOROPHENYL)METHANOLA,B1QV60.77
HPPHYDROXYPHENYL PROPIONIC ACIDA,B2TPL0.75
HPPHYDROXYPHENYL PROPIONIC ACIDA,B,C,D3GGP0.75
3FA3-FLUOROBENZENE-1,2-DIOLA2AS40.76
EYK2-tert-butylbenzene-1,4-diolD,F3EYM0.77
EYK2-tert-butylbenzene-1,4-diolB3EYK0.77
MNN(S)-MANDELIC ACID NITRILEA1YB60.8
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG20.72
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG10.72
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RH00.72
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGU0.72
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGT0.72
BPZ4,4'-cyclohexane-1,1-diyldiphenolA2ZKC0.73
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.75
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.75
AEG4-[(2R)-2-aminopropyl]phenolA3BUF0.75
ANFANTHRONEH2BJM0.71
SN12,4-DIHYDROXY-TRANS CINNAMIC ACID11K2I0.73
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
STLRESVERATROLA,B3CKL0.74
STLRESVERATROLA,B,C,D1U0W0.74
STLRESVERATROLA1CGZ0.74
STLRESVERATROLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N
2JIZ0.74
STLRESVERATROLA1Z1F0.74
STLRESVERATROLA1DVS0.74
STLRESVERATROLA,B1SG00.74
IOB3-IODO-BENZYL ALCOHOLA,B1QK00.72
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.75
CAQCATECHOLB2BUY0.73
CAQCATECHOLA1KND0.73
CAQCATECHOLB2BUQ0.73
CAQCATECHOLA,B1DLT0.73
CAQCATECHOLA1XEP0.73
CAQCATECHOLA2PUM0.73
HTS2-MERCAPTOPHENOLA2OSM0.71
MCT4-METHYLCATECHOLA1L4G0.77
MCT4-METHYLCATECHOLA2EHZ0.77
MCT4-METHYLCATECHOLA,B1DMH0.77
3HP3-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCE0.7
SS2(1R)-1-PHENYLETHANOLA1ZK00.72
SS2(1R)-1-PHENYLETHANOLA1ZJZ0.72
SS2(1R)-1-PHENYLETHANOLA1ZJY0.72
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,D1Y0G0.81
LDPL-DOPAMINEA,B2A3R0.71
LDPL-DOPAMINEA5PAH0.71
LDPL-DOPAMINEA,B2QMZ0.71
LDPL-DOPAMINEA,B2VQ50.71
BHQ2,5-DITERT-BUTYLBENZENE-1,4-DIOLA,B2AGV0.74
ENO3-(4-HYDROXY-PHENYL)PYRUVIC ACIDH,I1A2C0.71
ENO3-(4-HYDROXY-PHENYL)PYRUVIC ACIDA,B,C1CA70.71
ENO3-(4-HYDROXY-PHENYL)PYRUVIC ACIDA,B,C,D3GGO0.71
HC4A1TS60.76
HC4A3PHY0.76
HC4A3PYP0.76
HC4A1T1C0.76
HC4A1OT60.76
HC4A1TS00.76
HC4A1T1A0.76
HC4A2PYP0.76
HC4A2ZOI0.76
HC4A1OTI0.76
HC4A1XFQ0.76
HC4A2D010.76
HC4A,B,C,D,E,F,
G,H
2O7B0.76
HC4A2ZOH0.76
HC4A1GSW0.76
HC4A2QJ70.76
HC4A1F9I0.76
HC4X1UWP0.76
HC4A2PHY0.76
HC4A1T1B0.76
HC4A1F980.76
HC4A1T190.76
HC4X1UWN0.76
HC4A,B,C,D,E,F,
G,H
2O7F0.76
HC4A1UGU0.76
HC4A1TS80.76
HC4A,B1OTD0.76
HC4A1OTE0.76
HC4A1GSX0.76
HC4A1TS70.76
HC4A2PYR0.76
HC4A1S4S0.76
HC4A1GSV0.76
HC4A2I9V0.76
HC4A2QWS0.76
HC4A1XFN0.76
HC4A1S4R0.76
HC4A1T180.76
HC4A1OTA0.76
HC4A1D7E0.76
HC4A1S1Z0.76
HC4A,B,C1MZU0.76
HC4A,B1ODV0.76
HC4A,B2J3J0.76
HC4A2QJ50.76
HC4A1OTB0.76
HC4A2D020.76
HC4A1OT90.76
HC4A1NWZ0.76
HC4A1S1Y0.76
SAL2-HYDROXYBENZOIC ACIDA2I2Z0.71
SAL2-HYDROXYBENZOIC ACIDA,B,C1FIQ0.71
SAL2-HYDROXYBENZOIC ACIDA2I300.71
SAL2-HYDROXYBENZOIC ACIDA,B1PTH0.71
SAL2-HYDROXYBENZOIC ACIDA,B3DEU0.71
SAL2-HYDROXYBENZOIC ACIDA,B,C,D2E1Q0.71
SAL2-HYDROXYBENZOIC ACIDA,B3HGX0.71
SAL2-HYDROXYBENZOIC ACIDA,B3BPX0.71
SAL2-HYDROXYBENZOIC ACIDA1WYG0.71
SAL2-HYDROXYBENZOIC ACIDA1JGS0.71
SAL2-HYDROXYBENZOIC ACIDX1M6E0.71
SAL2-HYDROXYBENZOIC ACIDA3B9M0.71
SAL2-HYDROXYBENZOIC ACIDA,B1FO40.71
SAL2-HYDROXYBENZOIC ACIDA,B1Y7I0.71
SAL2-HYDROXYBENZOIC ACIDA,B2FN10.71
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E0Y0.86
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E8G0.86
3CH3-CHLOROPHENOLA1LI30.7
SGI3-(4-hydroxyphenyl)propanamideA,B2R9K0.73
2BR2-BROMOPHENOLA,B,C,D2A9W0.7
OBPA,B2DE30.71
FP22-fluorophenolA3CPO0.82
RCORESORCINOLA,B,C,E,F,G,
H,I,J,K
2OLY0.72
RCORESORCINOL1,3,A,B,C,D,
E,G,H,I,K,Q,
R,S,T,U,X,Y
2OM10.72
RCORESORCINOLA,B,C,E,G,H,
I,K
2OLZ0.72
RCORESORCINOLA,B,C,D,E,F2OMH0.72
RCORESORCINOLA,B,C,E,G,H,
I,J,K
2OMI0.72
RCORESORCINOLA,B,C,D,E,G,
I,J,K
1EVR0.72
RCORESORCINOLA,C,E,G,I,K,M1QIZ0.72
RCORESORCINOL1,3,A,B,C,D,
E,G,H,I,K,Q,
R,S,U,X,Y
2OM00.72
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL
A1YSG0.79
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.78
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.75
2LP2-ALLYLPHENOLA1OV50.86
OACTRANS-O-HYDROXY-ALPHA-METHYL CINNAMATEC3GCH0.71
BML4-BROMOPHENOLA,B,E3DHH0.7
BML4-BROMOPHENOLA,B1XU30.7
BML4-BROMOPHENOLA,B1T0S0.7
AEH4-(2-aminoethyl)-2-ethylphenolA3BUG0.76
EPTHEPTANYL-P-PHENOLA,B1AHZ0.81
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B1QV70.77
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B,C,D1MG00.77
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.79
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.82
341(3,5-difluorophenyl)methanolC3EON0.76
4HL4-(HYDRAZINOMETHYL)PHENOLA,B2E2U0.71
AED4-(2-aminoethyl)-2-cyclohexylphenolA3BUH0.73
MBD3-METHYLCATECHOLA1KNF0.79
OHP(2-HYDROXYPHENYL)ACETIC ACIDA2INZ0.74