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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02280567

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
505(2R)-1-(2,6-dimethylphenoxy)propan-
2-amine
A2VIN0.78
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGT0.74
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG20.74
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B2AN40.74
MR11-(1,3-BENZODIOXOL-5-YL)METHANAMINEA2ORQ0.73
5RM(5R)-5-(4-methoxy-3-propoxyphenyl)-
5-methyl-1,3-oxazolidin-2-one
A,B1XM60.7
TAX(Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)-
PHENOXY]-N,N-DIMETHYLETHANAMINIUM
A1FJ50.71
HFL5-(3,3-DIHYDROXYPROPENY)-3-METHOXY-
BENZENE-1,2-DIOL
C,F1KYW0.7
MTJN,O-DIMETHYL-L-TYROSINEA,B1ATL0.74
ANMANISOMYCIN1,2,4,A,B,C,
D,E,J,K,L,M,
N,O,P,R,S,T,
U,V,Z
1K730.71
ANMANISOMYCIN0,1,3,9,A,B,
C,F,H,J,K,L,
M,N,O,Q,R,S,
T,U,Y,Z
3CC40.71
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG20.74
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG10.74
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RH00.74
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGU0.74
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGT0.74
CN22-MERCAPTO-N-[1,2,3,10-TETRAMETHOXY-
9-OXO-5,6,7,9-TETRAHYDRO-BENZO[A]HEPTALEN-
7-YL]ACETAMIDE
A,B,C,D1Z2B0.72
CN22-MERCAPTO-N-[1,2,3,10-TETRAMETHOXY-
9-OXO-5,6,7,9-TETRAHYDRO-BENZO[A]HEPTALEN-
7-YL]ACETAMIDE
A,B,C,D3DU70.72
CN22-MERCAPTO-N-[1,2,3,10-TETRAMETHOXY-
9-OXO-5,6,7,9-TETRAHYDRO-BENZO[A]HEPTALEN-
7-YL]ACETAMIDE
A,B,D,F,G3EDL0.72
CN22-MERCAPTO-N-[1,2,3,10-TETRAMETHOXY-
9-OXO-5,6,7,9-TETRAHYDRO-BENZO[A]HEPTALEN-
7-YL]ACETAMIDE
A,B,C,D1SA00.72
SFX(3S)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-
1-amine
A3GWW0.73
LDPL-DOPAMINEA,B2A3R0.73
LDPL-DOPAMINEA5PAH0.73
LDPL-DOPAMINEA,B2QMZ0.73
LDPL-DOPAMINEA,B2VQ50.73
PZM1-(4-METHOXYPHENYL)METHANAMINEA,D,H2HJB0.81
AEH4-(2-aminoethyl)-2-ethylphenolA3BUG0.72
RFX(3R)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-
1-amine
A3GWV0.73
ZHZ2-(4-METHOXYPHENYL)ACETAMIDED,H2HKR0.75
DPDA,B1QIW0.71
DPDA1QIV0.71
MTYMETA-TYROSINEA2TOH0.72
MTYMETA-TYROSINEA,B1BIQ0.72
MTYMETA-TYROSINEA1Q7O0.72
D3P(2R)-AMINO(3,5-DIHYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1W7Q0.7
D3P(2R)-AMINO(3,5-DIHYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H
1W7R0.7
AEG4-[(2R)-2-aminopropyl]phenolA3BUF0.75
ZHH2-(4-METHOXYPHENYL)ETHANAMINED,H2HKR0.84
296(3R)-3-amino-2,2-difluoro-3-(4-
methoxyphenyl)propanoic acid
A,B2RJS0.74
F1IN-[1-(2,6-dimethoxybenzyl)piperidin-
4-yl]-4-sulfanylbutanamide
A2ZJI0.73
HV71-METHYLAMINE-2-HYDROXY-4-METHOXY-
BENZENE
C1A8G0.84
3MB3-METHOXYBENZAMIDEA3PAX0.7
LNRL-NOREPINEPHRINEA,B2QEO0.72
LNRL-NOREPINEPHRINEA3DYE0.72
LNRL-NOREPINEPHRINEA4PAH0.72
AEF4-(2-aminoethyl)phenolA3BRA0.72
LOCN-[(7S)-1,2,3,10-tetramethoxy-9-
oxo-6,7-dihydro-5H-benzo[d]heptalen-
7-yl]ethanamide
A,B,C,D3E220.75
AHT4-(2,5-DIAMINO-5-HYDROXY-PENTYL)-
PHENOL
I,T1TMB0.73