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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00019385

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
HOM7-HYDROXY-4-METHYL-3-(2-HYDROXY-
ETHYL)COUMARIN
C,D1CJF0.72
FLN2-PHENYL-4H-CHROMEN-4-ONEA2G0L0.74
SWFS-WARFARINA,B1OG50.71
6676-OXO-8,9,10,11-TETRAHYDRO-7H-CYCLOHEPTA[C][1]BENZOPYRAN-
3-O-SULFAMATE
A1TTM0.74
8CM8-HYDROXYCOUMARINA2H8Z0.79
505(2R)-1-(2,6-dimethylphenoxy)propan-
2-amine
A2VIN0.75
3AC(2E)-3-{3-[(5-ETHYL-3-IODO-6-METHYL-
2-OXO-1,2-DIHYDROPYRIDIN-4-YL)OXY]PHENYL}ACRYLONITRILE
A2B5J0.74
2HC(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACIDA,B1V5Z0.71
TOM4-(2-METHOXYPHENYL)-2-OXOBUT-3-
ENOIC ACID
A2IMF0.74
DBA(2,6-DIMETHYL-PHENOXY)-ACETIC ACIDA,B1IDB0.72
NOANAPHTHYLOXYACETIC ACIDA,B,I1HIV0.7
NOANAPHTHYLOXYACETIC ACIDI1IVP0.7
2C2(2S)-2-HYDROXY-2H-CHROMENE-2-CARBOXYLIC ACIDA2IME0.75
2C2(2S)-2-HYDROXY-2H-CHROMENE-2-CARBOXYLIC ACIDA2IMD0.75
4MU7-hydroxy-4-methyl-2H-chromen-2-
one
A,B3ETS0.77
T333,3'-DEIODO-THYROXINEA,B1THA0.7
COUCOUMARINA3CRB0.89
COUCOUMARINA2PMJ0.89
COUCOUMARINA2H900.89
COUCOUMARINA,B,C,D1Z100.89
COUCOUMARINA2PWB0.89
ZZ14-METHYL-2H-CHROMEN-2-ONEA2CIP0.86
RWFR-WARFARINA,B2BXD0.71
MCM7-AMINO-4-METHYL-CHROMEN-2-ONEA,B,C,D,I,J,
K,L
3EWF0.8
MCM7-AMINO-4-METHYL-CHROMEN-2-ONEA,B,I,L2V5W0.8
MCM7-AMINO-4-METHYL-CHROMEN-2-ONEB1VDN0.8
MCM7-AMINO-4-METHYL-CHROMEN-2-ONEC1VAI0.8
AIN2-(ACETYLOXY)BENZOIC ACIDA3GCL0.72
AIN2-(ACETYLOXY)BENZOIC ACIDA2QQT0.72
AIN2-(ACETYLOXY)BENZOIC ACIDA1TGM0.72
AIN2-(ACETYLOXY)BENZOIC ACIDA2G5J0.72
AIN2-(ACETYLOXY)BENZOIC ACIDA1OXR0.72
AIN2-(ACETYLOXY)BENZOIC ACIDA3HWY0.72
YZ97-HYDROXY-2-OXO-CHROMENE-3-CARBOXYLIC ACID ETHYL ESTERA,B,C1GCZ0.74
AI73-(heptyloxy)benzoic acidA,B2O3Z0.7
4HC4-HYDROXY-2H-CHROMEN-2-ONEA,B1V5Y0.84