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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02821612

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
5RM(5R)-5-(4-methoxy-3-propoxyphenyl)-
5-methyl-1,3-oxazolidin-2-one
A,B1XM60.72
4MU7-hydroxy-4-methyl-2H-chromen-2-
one
A,B3ETS0.71
ZZ14-METHYL-2H-CHROMEN-2-ONEA2CIP0.79
ZHH2-(4-METHOXYPHENYL)ETHANAMINED,H2HKR0.8
FIL(1E)-1-[3-(CYCLOPENTYLOXY)-4-METHOXYPHENYL]ETHANONE O-
(AMINOCARBONYL)OXIME
A,B1XLZ0.7
959benzyl (2-oxopropyl)carbamateA3D620.79
4CR(1R)-4-({[ETHYL(METHYL)AMINO]CARBONYL}OXY)-
N-METHYL-N-[(1E)-PROP-2-EN-1-YLIDENE]INDAN-
1-AMINIUM
A,B2C650.7
BBLN-[(BENZYLOXY)CARBONYL]-L-ALANINEA,I2H9H0.72
BBLN-[(BENZYLOXY)CARBONYL]-L-ALANINEA,I2HAL0.72
BBLN-[(BENZYLOXY)CARBONYL]-L-ALANINEA2A4O0.72
BBLN-[(BENZYLOXY)CARBONYL]-L-ALANINEA,I2H6M0.72
BBLN-[(BENZYLOXY)CARBONYL]-L-ALANINEA2CXV0.72
FOS[[N-(BENZYLOXYCARBONYL)AMINO]METHYL]PHOSPHATEA1BLH0.77
FOS[[N-(BENZYLOXYCARBONYL)AMINO]METHYL]PHOSPHATEA1AXB0.77
TOM4-(2-METHOXYPHENYL)-2-OXOBUT-3-
ENOIC ACID
A2IMF0.75
505(2R)-1-(2,6-dimethylphenoxy)propan-
2-amine
A2VIN0.75
STH2-AMINO-4H-1,3-BENZOXATHIIN-4-OLA,B,C,D1XKL0.73
HV71-METHYLAMINE-2-HYDROXY-4-METHOXY-
BENZENE
C1A8G0.71
SFX(3S)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-
1-amine
A3GWW0.74
RFX(3R)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-
1-amine
A3GWV0.74
HTAN-[3-(N'-HYDROXYCARBOXAMIDO)-2-
(2-METHYLPROPYL)-PROPANOYL]-O-TYROSINE-
N-METHYLAMIDE
A1FBL0.7
DBA(2,6-DIMETHYL-PHENOXY)-ACETIC ACIDA,B1IDB0.72
ZHZ2-(4-METHOXYPHENYL)ACETAMIDED,H2HKR0.76
CTX(Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)-
PHENOXY]-N,N-DIMETHYLETHANAMINE
A,B,C1YA40.72
4BR2-(4-METHYLPHENOXY)ETHYLPHOSPHINATEA1PE70.71
COUCOUMARINA3CRB0.75
COUCOUMARINA2PMJ0.75
COUCOUMARINA2H900.75
COUCOUMARINA,B,C,D1Z100.75
COUCOUMARINA2PWB0.75
TRTFRAGMENT OF TRITON X-100A,E2I0U0.71
TRTFRAGMENT OF TRITON X-100A,B1OIZ0.71
ANMANISOMYCIN1,2,4,A,B,C,
D,E,J,K,L,M,
N,O,P,R,S,T,
U,V,Z
1K730.7
ANMANISOMYCIN0,1,3,9,A,B,
C,F,H,J,K,L,
M,N,O,Q,R,S,
T,U,Y,Z
3CC40.7
4HC4-HYDROXY-2H-CHROMEN-2-ONEA,B1V5Y0.72
MTJN,O-DIMETHYL-L-TYROSINEA,B1ATL0.76
TAX(Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)-
PHENOXY]-N,N-DIMETHYLETHANAMINIUM
A1FJ50.74
2LP2-ALLYLPHENOLA1OV50.7
MPP3-(3,4-DIMETHOXYPHENYL)PROPIONIC ACIDA,B2AY30.71
AEH4-(2-aminoethyl)-2-ethylphenolA3BUG0.71
PZM1-(4-METHOXYPHENYL)METHANAMINEA,D,H2HJB0.77
296(3R)-3-amino-2,2-difluoro-3-(4-
methoxyphenyl)propanoic acid
A,B2RJS0.7
Y124-{(1E)-3-OXO-3-[(2-PHENYLETHYL)AMINO]PROP-
1-EN-1-YL}-1,2-PHENYLENE DIACETATE
A2EW50.73