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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01001503

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
TBP2,4,6-TRIBROMOPHENOLL1E5A0.82
LJ33,5-dibromobiphenyl-4-olA,B3CN20.82
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.7
DESDIETHYLSTILBESTROLA,B3ERD0.7
DESDIETHYLSTILBESTROLA,B1TT60.7
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.7
LJ22,6-dibromo-4-[(E)-2-phenylethenyl]phenolA,B3CN10.84
BRBPARA-BROMOBENZYL ALCOHOLA,B1HLD0.8
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.71
CRSM-CRESOLA,B,C,D1EV30.72
CRSM-CRESOLA,B,C,D,E,F2OMG0.72
CRSM-CRESOLA,B1UZ90.72
CRSM-CRESOLA,B,C,D1ZEH0.72
CRSM-CRESOLA,B,C,D,E,F1ZEI0.72
CRSM-CRESOLA,C,D,E7INS0.72
CRSM-CRESOLA,B,C,D,E,G,
I,K
1EV60.72
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.7
MBD3-METHYLCATECHOLA1KNF0.72
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.74
2HC(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACIDA,B1V5Z0.71
DHR(2S)-HYDROXY(4-HYDROXYPHENYL)ETHANENITRILEA,B1E550.72
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,D1Y0G0.71
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E0Y0.72
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E8G0.72
PBRPENTABROMOPHENOLA,B1E4H0.72
2LP2-ALLYLPHENOLA1OV50.75
ETY4-ethylphenolA,B,C,D2RA60.72
DBY3,5 DIBROMOTYROSINEC,D1EBA0.7
2BR2-BROMOPHENOLA,B,C,D2A9W0.78
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.7
PCRP-CRESOLA1JHV0.73
PCRP-CRESOLA1JHU0.73
PCRP-CRESOLA,B,C,D1DIQ0.73
BML4-BROMOPHENOLA,B,E3DHH0.78
BML4-BROMOPHENOLA,B1XU30.78
BML4-BROMOPHENOLA,B1T0S0.78
EPTHEPTANYL-P-PHENOLA,B1AHZ0.71