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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00167379

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
OHT4-HYDROXYTAMOXIFENA3ERT0.78
OHT4-HYDROXYTAMOXIFENA,B1S9Q0.78
OHT4-HYDROXYTAMOXIFENA,B1VJB0.78
OHT4-HYDROXYTAMOXIFENA,B,C,P,R2JF90.78
OHT4-HYDROXYTAMOXIFENA,B,C,D,E,F2GPV0.78
OHT4-HYDROXYTAMOXIFENA2GPU0.78
OHT4-HYDROXYTAMOXIFENA2P7Z0.78
OHT4-HYDROXYTAMOXIFENA,B2BJ40.78
OHT4-HYDROXYTAMOXIFENA,B2FSZ0.78
5RM(5R)-5-(4-methoxy-3-propoxyphenyl)-
5-methyl-1,3-oxazolidin-2-one
A,B1XM60.72
189N-BENZYL-2-(2,6-DIMETHYLPHENOXY)-
N-[((3R,4S)-4-{[ISOBUTYL(PHENYLSULFONYL)AMINO]METHYL}PYRROLIDIN-
3-YL)METHYL]ACETAMIDE
A,B1XL20.71
3AC(2E)-3-{3-[(5-ETHYL-3-IODO-6-METHYL-
2-OXO-1,2-DIHYDROPYRIDIN-4-YL)OXY]PHENYL}ACRYLONITRILE
A2B5J0.7
Y124-{(1E)-3-OXO-3-[(2-PHENYLETHYL)AMINO]PROP-
1-EN-1-YL}-1,2-PHENYLENE DIACETATE
A2EW50.71
CM4(2R,3R,4S)-3-(4-HYDROXYPHENYL)-
4-METHYL-2-[4-(2-PYRROLIDIN-1-YLETHOXY)PHENYL]CHROMAN-
6-OL
A1YIM0.75
C3D(5R,6S)-6-PHENYL-5-[4-(2-PYRROLIDIN-
1-YLETHOXY)PHENYL]-5,6,7,8-TETRAHYDRONAPHTHALEN-
2-OL
A2OUZ0.76
11N1-[1'-(3-phenylacryloyl)spiro[1-
benzofuran-3,4'-piperidin]-5-yl]methanamine
A,B,C,D2ZEC0.75
SB82-(3-BENZOYLPHENOXY)ETHYL(HYDROXY)FORMAMIDEA2AIA0.76
TON2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOLA,B1SEZ0.72
AP1{3-[3-(3,4-DIMETHOXY-PHENYL)-1-
(1-{1-[2-(3,4,5-TRIMETHOXY-PHENYL)-
BUTYRYL]-PIPERIDIN-2YL}-VINYLOXY)-
PROPYL]-PHENOXY}-ACETIC ACID
A,B1BL40.7
G24[4-(3-BENZYL-4-HYDROXYBENZYL)-3,5-
DIMETHYLPHENOXY]ACETIC ACID
A1Q4X0.72
DRS(9S,12S)-9-(1-methylethyl)-7,10-
dioxo-2-oxa-8,11-diazabicyclo[12.2.2]octadeca-
1(16),14,17-triene-12-carboxylic acid
A,B3BXS0.7
TRTFRAGMENT OF TRITON X-100A,E2I0U0.73
TRTFRAGMENT OF TRITON X-100A,B1OIZ0.73
LY22-MORPHOLIN-4-YL-7-PHENYL-4H-CHROMEN-
4-ONE
A1YI30.72
LY22-MORPHOLIN-4-YL-7-PHENYL-4H-CHROMEN-
4-ONE
A1E7V0.72
505(2R)-1-(2,6-dimethylphenoxy)propan-
2-amine
A2VIN0.74
2PMN-[2-(BENZHYDRYLOXY)ETHYL]-N,N-
DIMETHYLAMINE
A,B2AOT0.72
CTX(Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)-
PHENOXY]-N,N-DIMETHYLETHANAMINE
A,B,C1YA40.8
RFX(3R)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-
1-amine
A3GWV0.71
DBA(2,6-DIMETHYL-PHENOXY)-ACETIC ACIDA,B1IDB0.72
TAX(Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)-
PHENOXY]-N,N-DIMETHYLETHANAMINIUM
A1FJ50.77
SNP1-(ISOPROPYLAMINO)-3-(1-NAPHTHYLOXY)-
2-PROPANOL
A1DY40.73
4SR(4S)-4-[3-(CYCLOPENTYLOXY)-4-METHOXYPHENYL]PYRROLIDIN-
2-ONE
A,B1XN00.73
SFX(3S)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-
1-amine
A3GWW0.71
TXF(Z)-4-(1-{4-[2-(DIMETHYLAMINO)ETHOXY]PHENYL}-
5-HYDROXY-2-PHENYLPENT-1-ENYL)PHENOL
A,B,C,D,E2EWP0.78
C61(2R,4S,5S,7S)-5-AMINO-N-BUTYL-4-
HYDROXY-7-[4-METHOXY-3-(3-METHOXYPROPOXY)BENZYL]-
2,8-DIMETHYLNONANAMIDE
C,O2V100.71
CM3(2R,3R,4S)-5-FLUORO-3-(4-HYDROXYPHENYL)-
4-METHYL-2-[4-(2-PIPERIDIN-1-YLETHOXY)PHENYL]CHROMAN-
6-OL
A1YIN0.74
AB1N-{1-BENZYL-4-[2-(2,6-DIMETHYL-
PHENOXY)-ACETYLAMINO]-3-HYDROXY-
5-PHENYL-PENTYL}-3-METHYL-2-(2-
OXO-TETRAHYDRO-PYRIMIDIN-1-YL)-
BUTYRAMIDE
A,B2Q5K0.73
AB1N-{1-BENZYL-4-[2-(2,6-DIMETHYL-
PHENOXY)-ACETYLAMINO]-3-HYDROXY-
5-PHENYL-PENTYL}-3-METHYL-2-(2-
OXO-TETRAHYDRO-PYRIMIDIN-1-YL)-
BUTYRAMIDE
A,B2QHC0.73
AB1N-{1-BENZYL-4-[2-(2,6-DIMETHYL-
PHENOXY)-ACETYLAMINO]-3-HYDROXY-
5-PHENYL-PENTYL}-3-METHYL-2-(2-
OXO-TETRAHYDRO-PYRIMIDIN-1-YL)-
BUTYRAMIDE
A,B2RKF0.73
AB1N-{1-BENZYL-4-[2-(2,6-DIMETHYL-
PHENOXY)-ACETYLAMINO]-3-HYDROXY-
5-PHENYL-PENTYL}-3-METHYL-2-(2-
OXO-TETRAHYDRO-PYRIMIDIN-1-YL)-
BUTYRAMIDE
B1MUI0.73
AB1N-{1-BENZYL-4-[2-(2,6-DIMETHYL-
PHENOXY)-ACETYLAMINO]-3-HYDROXY-
5-PHENYL-PENTYL}-3-METHYL-2-(2-
OXO-TETRAHYDRO-PYRIMIDIN-1-YL)-
BUTYRAMIDE
B1RV70.73
AB1N-{1-BENZYL-4-[2-(2,6-DIMETHYL-
PHENOXY)-ACETYLAMINO]-3-HYDROXY-
5-PHENYL-PENTYL}-3-METHYL-2-(2-
OXO-TETRAHYDRO-PYRIMIDIN-1-YL)-
BUTYRAMIDE
A,B2RKG0.73
AB1N-{1-BENZYL-4-[2-(2,6-DIMETHYL-
PHENOXY)-ACETYLAMINO]-3-HYDROXY-
5-PHENYL-PENTYL}-3-METHYL-2-(2-
OXO-TETRAHYDRO-PYRIMIDIN-1-YL)-
BUTYRAMIDE
A,B2O4S0.73
AB1N-{1-BENZYL-4-[2-(2,6-DIMETHYL-
PHENOXY)-ACETYLAMINO]-3-HYDROXY-
5-PHENYL-PENTYL}-3-METHYL-2-(2-
OXO-TETRAHYDRO-PYRIMIDIN-1-YL)-
BUTYRAMIDE
A,B2Z540.73
NN4(1S,3R,4S,5S,7S)-4-{[2-(4-METHOXYPHENOXY)-
2-METHYLPROPANOYL]AMINO}ADAMANTANE-
1-CARBOXAMIDE
A,B,C,D,E,F,
G,H
2IRW0.7
TF3N-(2-AMINOETHYL)-2-{3-CHLORO-4-
[(4-ISOPROPYLBENZYL)OXY]PHENYL} ACETAMIDE
A2BU70.71
MO9(1R)-2-[(CYANOMETHYL)AMINO]-1-({[2-
(DIFLUOROMETHOXY)BENZYL]SULFONYL}METHYL)-
2-OXOETHYL MORPHOLINE-4-CARBOXYLATE
A,B2G7Y0.73
CMZ(2S)-1-(2,5-dimethylphenoxy)-3-
morpholin-4-ylpropan-2-ol
A2OF00.82
ROLROLIPRAMA,B,C,D1OYN0.73
ROLROLIPRAMA,B1XMY0.73
ROLROLIPRAMA,B,C,D1Q9M0.73
ROLROLIPRAMA,B1RO60.73
ROLROLIPRAMA,B1XN00.73
ROLROLIPRAMA,B1TBB0.73
2NIN-{2-[(4'-CYANO-1,1'-BIPHENYL-4-
YL)OXY]ETHYL}-N'-HYDROXY-N-METHYLUREA
A1ZP50.8
NOANAPHTHYLOXYACETIC ACIDA,B,I1HIV0.72
NOANAPHTHYLOXYACETIC ACIDI1IVP0.72
JT63-[(4'-cyanobiphenyl-4-yl)oxy]-
N-hydroxypropanamide
A2JT60.71
PI41-[2-(8-CARBAMOYLMETHYL-6,9-DIOXO-
2-OXA-7,10-DIAZA-BICYCLO[11.2.2]HEPTADECA-
1(16),13(17),14-TRIEN-11-YL)-2-
HYDROXY-ETHYL]-PIPERIDINE-2-CARBOXYLIC ACID TERT-
BUTYLAMIDE
A,B1B6L0.7