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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02672004

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.75
CRSM-CRESOLA,B,C,D1EV30.74
CRSM-CRESOLA,B,C,D,E,F2OMG0.74
CRSM-CRESOLA,B1UZ90.74
CRSM-CRESOLA,B,C,D1ZEH0.74
CRSM-CRESOLA,B,C,D,E,F1ZEI0.74
CRSM-CRESOLA,C,D,E7INS0.74
CRSM-CRESOLA,B,C,D,E,G,
I,K
1EV60.74
SS11-PHENYLETHANOLH1UM50.72
MBD3-METHYLCATECHOLA1KNF0.73
DHR(2S)-HYDROXY(4-HYDROXYPHENYL)ETHANENITRILEA,B1E550.73
LJ33,5-dibromobiphenyl-4-olA,B3CN20.83
LJ22,6-dibromo-4-[(E)-2-phenylethenyl]phenolA,B3CN10.84
ETY4-ethylphenolA,B,C,D2RA60.76
PCRP-CRESOLA1JHV0.76
PCRP-CRESOLA1JHU0.76
PCRP-CRESOLA,B,C,D1DIQ0.76
EYK2-tert-butylbenzene-1,4-diolD,F3EYM0.74
EYK2-tert-butylbenzene-1,4-diolB3EYK0.74
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E0Y0.71
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E8G0.71
HPPHYDROXYPHENYL PROPIONIC ACIDA,B2TPL0.7
HPPHYDROXYPHENYL PROPIONIC ACIDA,B,C,D3GGP0.7
2BR2-BROMOPHENOLA,B,C,D2A9W0.76
EPTHEPTANYL-P-PHENOLA,B1AHZ0.77
2LP2-ALLYLPHENOLA1OV50.76
AEH4-(2-aminoethyl)-2-ethylphenolA3BUG0.72
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.75
DESDIETHYLSTILBESTROLA,B3ERD0.75
DESDIETHYLSTILBESTROLA,B1TT60.75
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.75
12M(2-ETHYLPHENYL)METHANOLA,B2F620.71
2MP3,4-DIMETHYLPHENOLA1L5O0.73
H532-(2,5-DIHYDROXYPHENYL)-6-(HYDROXYMETHYL)OXANE-
3,4,5-TRIOL
A2FF50.7
H532-(2,5-DIHYDROXYPHENYL)-6-(HYDROXYMETHYL)OXANE-
3,4,5-TRIOL
A2FET0.7
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,D1Y0G0.74
TBP2,4,6-TRIBROMOPHENOLL1E5A0.74
MCT4-METHYLCATECHOLA1L4G0.72
MCT4-METHYLCATECHOLA2EHZ0.72
MCT4-METHYLCATECHOLA,B1DMH0.72
BPYBIPHENYL-2,3-DIOLA1KMY0.71
BPYBIPHENYL-2,3-DIOLB1KW80.71
BPYBIPHENYL-2,3-DIOLA2EI30.71
BPYBIPHENYL-2,3-DIOLA1EIR0.71
BPYBIPHENYL-2,3-DIOLB1KW60.71
BPYBIPHENYL-2,3-DIOLB1KWC0.71
BPYBIPHENYL-2,3-DIOLB1KW90.71
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.73
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.73
SS2(1R)-1-PHENYLETHANOLA1ZK00.72
SS2(1R)-1-PHENYLETHANOLA1ZJZ0.72
SS2(1R)-1-PHENYLETHANOLA1ZJY0.72
BML4-BROMOPHENOLA,B,E3DHH0.74
BML4-BROMOPHENOLA,B1XU30.74
BML4-BROMOPHENOLA,B1T0S0.74
HC4A1TS60.71
HC4A3PHY0.71
HC4A3PYP0.71
HC4A1T1C0.71
HC4A1OT60.71
HC4A1TS00.71
HC4A1T1A0.71
HC4A2PYP0.71
HC4A2ZOI0.71
HC4A1OTI0.71
HC4A1XFQ0.71
HC4A2D010.71
HC4A,B,C,D,E,F,
G,H
2O7B0.71
HC4A2ZOH0.71
HC4A1GSW0.71
HC4A2QJ70.71
HC4A1F9I0.71
HC4X1UWP0.71
HC4A2PHY0.71
HC4A1T1B0.71
HC4A1F980.71
HC4A1T190.71
HC4X1UWN0.71
HC4A,B,C,D,E,F,
G,H
2O7F0.71
HC4A1UGU0.71
HC4A1TS80.71
HC4A,B1OTD0.71
HC4A1OTE0.71
HC4A1GSX0.71
HC4A1TS70.71
HC4A2PYR0.71
HC4A1S4S0.71
HC4A1GSV0.71
HC4A2I9V0.71
HC4A2QWS0.71
HC4A1XFN0.71
HC4A1S4R0.71
HC4A1T180.71
HC4A1OTA0.71
HC4A1D7E0.71
HC4A1S1Z0.71
HC4A,B,C1MZU0.71
HC4A,B1ODV0.71
HC4A,B2J3J0.71
HC4A2QJ50.71
HC4A1OTB0.71
HC4A2D020.71
HC4A1OT90.71
HC4A1NWZ0.71
HC4A1S1Y0.71
BPZ4,4'-cyclohexane-1,1-diyldiphenolA2ZKC0.71
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.78
2HC(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACIDA,B1V5Z0.72
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.73
DBY3,5 DIBROMOTYROSINEC,D1EBA0.7
STLRESVERATROLA,B3CKL0.72
STLRESVERATROLA,B,C,D1U0W0.72
STLRESVERATROLA1CGZ0.72
STLRESVERATROLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N
2JIZ0.72
STLRESVERATROLA1Z1F0.72
STLRESVERATROLA1DVS0.72
STLRESVERATROLA,B1SG00.72
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.78
BP71,1'-BIPHENYL-3,4-DIOLA2EI00.71
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.8
BHQ2,5-DITERT-BUTYLBENZENE-1,4-DIOLA,B2AGV0.72
BRBPARA-BROMOBENZYL ALCOHOLA,B1HLD0.78
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL
A1YSG0.71
SRL[2-(3,5-DI-TERT-BUTYL-4-HYDROXY-
PHENYL)-1-(DIETHOXY-PHOSPHORYL)-
VINYL]-PHOSPHONIC ACID DIETHLYL ESTER
A1ILH0.74
SRL[2-(3,5-DI-TERT-BUTYL-4-HYDROXY-
PHENYL)-1-(DIETHOXY-PHOSPHORYL)-
VINYL]-PHOSPHONIC ACID DIETHLYL ESTER
A,B1NRL0.74
SN12,4-DIHYDROXY-TRANS CINNAMIC ACID11K2I0.72
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.72