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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02823612

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
2MP3,4-DIMETHYLPHENOLA1L5O0.72
MBD3-METHYLCATECHOLA1KNF0.73
EPTHEPTANYL-P-PHENOLA,B1AHZ0.74
2BR2-BROMOPHENOLA,B,C,D2A9W0.8
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.73
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.77
PCRP-CRESOLA1JHV0.76
PCRP-CRESOLA1JHU0.76
PCRP-CRESOLA,B,C,D1DIQ0.76
BML4-BROMOPHENOLA,B,E3DHH0.8
BML4-BROMOPHENOLA,B1XU30.8
BML4-BROMOPHENOLA,B1T0S0.8
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
LJ22,6-dibromo-4-[(E)-2-phenylethenyl]phenolA,B3CN10.86
2HC(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACIDA,B1V5Z0.71
LJ33,5-dibromobiphenyl-4-olA,B3CN20.84
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.73
TBP2,4,6-TRIBROMOPHENOLL1E5A0.84
PBRPENTABROMOPHENOLA,B1E4H0.77
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.75
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.71
DESDIETHYLSTILBESTROLA,B3ERD0.71
DESDIETHYLSTILBESTROLA,B1TT60.71
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.71
MCT4-METHYLCATECHOLA1L4G0.7
MCT4-METHYLCATECHOLA2EHZ0.7
MCT4-METHYLCATECHOLA,B1DMH0.7
DBY3,5 DIBROMOTYROSINEC,D1EBA0.7
EYK2-tert-butylbenzene-1,4-diolD,F3EYM0.71
EYK2-tert-butylbenzene-1,4-diolB3EYK0.71
ETY4-ethylphenolA,B,C,D2RA60.75
BRBPARA-BROMOBENZYL ALCOHOLA,B1HLD0.78
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
2LP2-ALLYLPHENOLA1OV50.77
CRSM-CRESOLA,B,C,D1EV30.76
CRSM-CRESOLA,B,C,D,E,F2OMG0.76
CRSM-CRESOLA,B1UZ90.76
CRSM-CRESOLA,B,C,D1ZEH0.76
CRSM-CRESOLA,B,C,D,E,F1ZEI0.76
CRSM-CRESOLA,C,D,E7INS0.76
CRSM-CRESOLA,B,C,D,E,G,
I,K
1EV60.76