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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00021024

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.7
DESDIETHYLSTILBESTROLA,B3ERD0.7
DESDIETHYLSTILBESTROLA,B1TT60.7
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.7
LJ33,5-dibromobiphenyl-4-olA,B3CN20.83
EPTHEPTANYL-P-PHENOLA,B1AHZ0.73
MBD3-METHYLCATECHOLA1KNF0.74
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.74
PBRPENTABROMOPHENOLA,B1E4H0.76
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,D1Y0G0.72
LJ22,6-dibromo-4-[(E)-2-phenylethenyl]phenolA,B3CN10.85
2BR2-BROMOPHENOLA,B,C,D2A9W0.81
43M4-CHLORO-3-METHYLPHENOLA2P7A0.72
BHQ2,5-DITERT-BUTYLBENZENE-1,4-DIOLA,B2AGV0.71
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.74
BML4-BROMOPHENOLA,B,E3DHH0.81
BML4-BROMOPHENOLA,B1XU30.81
BML4-BROMOPHENOLA,B1T0S0.81
2LP2-ALLYLPHENOLA1OV50.73
PCRP-CRESOLA1JHV0.77
PCRP-CRESOLA1JHU0.77
PCRP-CRESOLA,B,C,D1DIQ0.77
TBP2,4,6-TRIBROMOPHENOLL1E5A0.85
CRSM-CRESOLA,B,C,D1EV30.8
CRSM-CRESOLA,B,C,D,E,F2OMG0.8
CRSM-CRESOLA,B1UZ90.8
CRSM-CRESOLA,B,C,D1ZEH0.8
CRSM-CRESOLA,B,C,D,E,F1ZEI0.8
CRSM-CRESOLA,C,D,E7INS0.8
CRSM-CRESOLA,B,C,D,E,G,
I,K
1EV60.8
2MP3,4-DIMETHYLPHENOLA1L5O0.76
EYK2-tert-butylbenzene-1,4-diolD,F3EYM0.71
EYK2-tert-butylbenzene-1,4-diolB3EYK0.71
MCT4-METHYLCATECHOLA1L4G0.74
MCT4-METHYLCATECHOLA2EHZ0.74
MCT4-METHYLCATECHOLA,B1DMH0.74
ETY4-ethylphenolA,B,C,D2RA60.75
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.7
BRBPARA-BROMOBENZYL ALCOHOLA,B1HLD0.77
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E0Y0.73
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E8G0.73
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL
A1YSG0.71
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.72