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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00005869

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
BRBPARA-BROMOBENZYL ALCOHOLA,B1HLD0.83
BML4-BROMOPHENOLA,B,E3DHH0.83
BML4-BROMOPHENOLA,B1XU30.83
BML4-BROMOPHENOLA,B1T0S0.83
OHP(2-HYDROXYPHENYL)ACETIC ACIDA2INZ0.71
SS11-PHENYLETHANOLH1UM50.72
DHR(2S)-HYDROXY(4-HYDROXYPHENYL)ETHANENITRILEA,B1E550.75
IPHPHENOLA,B2OLD0.72
IPHPHENOLA,B,C,D2PZV0.72
IPHPHENOLA1LI20.72
IPHPHENOLA2J9N0.72
IPHPHENOLA,B,C,D2OMB0.72
IPHPHENOLA1JHX0.72
IPHPHENOLA,B,C,D2VE70.72
IPHPHENOLB,D,E,G,H,J,L1AI00.72
IPHPHENOLA,B,C,D1FOH0.72
IPHPHENOLA1V030.72
IPHPHENOLA,C,E,G,I,K5AIY0.72
IPHPHENOLB,D,F,H,J,L1AIY0.72
IPHPHENOLA,B1XU50.72
IPHPHENOLA,B,C,D,E,G,
I,K
1W8P0.72
IPHPHENOLA,C,E,G,I,K4AIY0.72
IPHPHENOLA,B,C,D,E,F,
G,H
1XDA0.72
IPHPHENOLA2AS30.72
IPHPHENOLA,B,C,D1ZEG0.72
IPHPHENOLA,B,C,D1PN00.72
IPHPHENOLA,B,C,D1XW70.72
IPHPHENOLA,C,E,G,I,K,M1QIY0.72
IPHPHENOLA,B,C,D1Q4V0.72
IPHPHENOLB1AI70.72
IPHPHENOLA1FJW0.72
IPHPHENOLB,C,D1RWE0.72
IPHPHENOLA,B,C,D,E,G,
H,I,K
1ZNJ0.72
IPHPHENOLB,C,D3GKY0.72
IPHPHENOLA1JHY0.72
IPHPHENOLA,C,E,G,I,K3AIY0.72
IPHPHENOLA,B2OMN0.72
IPHPHENOLA,C,E,G,I,K2AIY0.72
IPHPHENOLA,B,D1MPJ0.72
IPHPHENOLA,B,C,D,F,G,
H,J
1WAV0.72
IPHPHENOLB,C,D1LPH0.72
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.71
DIN1,6-DIHYDROXY NAPHTHALENEA1ZB60.7
TOH(3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT-
3-ENOIC ACID
A2IME0.72
TOH(3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT-
3-ENOIC ACID
A2IMD0.72
ETY4-ethylphenolA,B,C,D2RA60.76
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
BPYBIPHENYL-2,3-DIOLA1KMY0.72
BPYBIPHENYL-2,3-DIOLB1KW80.72
BPYBIPHENYL-2,3-DIOLA2EI30.72
BPYBIPHENYL-2,3-DIOLA1EIR0.72
BPYBIPHENYL-2,3-DIOLB1KW60.72
BPYBIPHENYL-2,3-DIOLB1KWC0.72
BPYBIPHENYL-2,3-DIOLB1KW90.72
BPZ4,4'-cyclohexane-1,1-diyldiphenolA2ZKC0.7
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.74
EYK2-tert-butylbenzene-1,4-diolD,F3EYM0.74
EYK2-tert-butylbenzene-1,4-diolB3EYK0.74
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL
A1YSG0.73
EPTHEPTANYL-P-PHENOLA,B1AHZ0.75
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E0Y0.76
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E8G0.76
FP22-fluorophenolA3CPO0.7
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG20.7
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG10.7
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RH00.7
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGU0.7
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGT0.7
CRSM-CRESOLA,B,C,D1EV30.77
CRSM-CRESOLA,B,C,D,E,F2OMG0.77
CRSM-CRESOLA,B1UZ90.77
CRSM-CRESOLA,B,C,D1ZEH0.77
CRSM-CRESOLA,B,C,D,E,F1ZEI0.77
CRSM-CRESOLA,C,D,E7INS0.77
CRSM-CRESOLA,B,C,D,E,G,
I,K
1EV60.77
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.71
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.71
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,D1Y0G0.75
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B1QV70.71
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B,C,D1MG00.71
LJ33,5-dibromobiphenyl-4-olA,B3CN20.79
BP71,1'-BIPHENYL-3,4-DIOLA2EI00.7
2BR2-BROMOPHENOLA,B,C,D2A9W0.81
2MP3,4-DIMETHYLPHENOLA1L5O0.73
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGT0.7
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG20.7
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B2AN40.7
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.74
DESDIETHYLSTILBESTROLA,B3ERD0.74
DESDIETHYLSTILBESTROLA,B1TT60.74
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.74
2LP2-ALLYLPHENOLA1OV50.79
341(3,5-difluorophenyl)methanolC3EON0.7
1NP1-NAPHTHOLX2ZVQ0.71
SN12,4-DIHYDROXY-TRANS CINNAMIC ACID11K2I0.73
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
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A2OPA0.72
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A,B,C1MFI0.72
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A,B1GYY0.72
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.76
PCRP-CRESOLA1JHV0.77
PCRP-CRESOLA1JHU0.77
PCRP-CRESOLA,B,C,D1DIQ0.77
FPN4-FLUOROPHENOLA,B1XVD0.7
BOP1-BROMO-4-METHOXYBENZENEC,F1RHQ0.72
SS2(1R)-1-PHENYLETHANOLA1ZK00.72
SS2(1R)-1-PHENYLETHANOLA1ZJZ0.72
SS2(1R)-1-PHENYLETHANOLA1ZJY0.72
LJ22,6-dibromo-4-[(E)-2-phenylethenyl]phenolA,B3CN10.82
4HP4-HYDROXYPHENYLACETATEA,B,C,D2JBT0.71
4HP4-HYDROXYPHENYLACETATEA2YYJ0.71
4HP4-HYDROXYPHENYLACETATEA2YYM0.71
4HP4-HYDROXYPHENYLACETATEB1AI60.71
4HP4-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCG0.71
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
2HC(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACIDA,B1V5Z0.75
HPPHYDROXYPHENYL PROPIONIC ACIDA,B2TPL0.71
HPPHYDROXYPHENYL PROPIONIC ACIDA,B,C,D3GGP0.71
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.74
TBP2,4,6-TRIBROMOPHENOLL1E5A0.77
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.7
24B(2,4-DIFLUOROPHENYL)METHANOLA,B1QV60.71
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
MBD3-METHYLCATECHOLA1KNF0.76
12M(2-ETHYLPHENYL)METHANOLA,B2F620.7
BHQ2,5-DITERT-BUTYLBENZENE-1,4-DIOLA,B2AGV0.7
MCT4-METHYLCATECHOLA1L4G0.73
MCT4-METHYLCATECHOLA2EHZ0.73
MCT4-METHYLCATECHOLA,B1DMH0.73
IOL4-IODOPHENOLA,B1EWA0.7
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.72
H532-(2,5-DIHYDROXYPHENYL)-6-(HYDROXYMETHYL)OXANE-
3,4,5-TRIOL
A2FF50.71
H532-(2,5-DIHYDROXYPHENYL)-6-(HYDROXYMETHYL)OXANE-
3,4,5-TRIOL
A2FET0.71