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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00022618

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
DHCCAFFEIC ACIDA,B,C,D,E,F,
G,H
2O7D0.72
DHCCAFFEIC ACIDA1KOU0.72
BPZ4,4'-cyclohexane-1,1-diyldiphenolA2ZKC0.77
BP71,1'-BIPHENYL-3,4-DIOLA2EI00.74
DIN1,6-DIHYDROXY NAPHTHALENEA1ZB60.72
BPYBIPHENYL-2,3-DIOLA1KMY0.73
BPYBIPHENYL-2,3-DIOLB1KW80.73
BPYBIPHENYL-2,3-DIOLA2EI30.73
BPYBIPHENYL-2,3-DIOLA1EIR0.73
BPYBIPHENYL-2,3-DIOLB1KW60.73
BPYBIPHENYL-2,3-DIOLB1KWC0.73
BPYBIPHENYL-2,3-DIOLB1KW90.73
AC6P-HYDROXYACETOPHENONEA2GQ80.7
AC6P-HYDROXYACETOPHENONEX2O480.7
AZNALIZARIN REDH,I,J,K,L,M,
N,O
1OAR0.74
EPTHEPTANYL-P-PHENOLA,B1AHZ0.72
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.76
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.76
2LP2-ALLYLPHENOLA1OV50.71
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.75
DESDIETHYLSTILBESTROLA,B3ERD0.75
DESDIETHYLSTILBESTROLA,B1TT60.75
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.75
1784-(4-HYDROXY-3-ISOPROPYLPHENYLTHIO)-
2-ISOPROPYLPHENOL
A,B1TVE0.77
1NP1-NAPHTHOLX2ZVQ0.71
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.75
7893-BROMO-6-HYDROXY-2-(4-HYDROXYPHENYL)-
1H-INDEN-1-ONE
A,B1ZAF0.7
2E3(2E)-3-[4-hydroxy-3-(3,5,5,8,8-
pentamethyl-5,6,7,8-tetrahydronaphthalen-
2-yl)phenyl]prop-2-enoic acid
A3FUG0.75
2HC(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACIDA,B1V5Z0.73
2C72-(cycloheptylmethyl)-1,1-dioxido-
1-benzothiophen-6-yl sulfamate
A3DD80.7
2MP3,4-DIMETHYLPHENOLA1L5O0.71
DBEbis(4-hydroxyphenyl)methanoneA2VKU0.75