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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00749366

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
CMZ(2S)-1-(2,5-dimethylphenoxy)-3-
morpholin-4-ylpropan-2-ol
A2OF00.75
P14N-[2-(2-{[(4-{[AMINO(IMINO)METHYL]AMINO}BUTYL)AMINO]METHYL}-
4-METHOXYPHENOXY)ETHYL]GUANIDINE
B1UUD0.73
MTJN,O-DIMETHYL-L-TYROSINEA,B1ATL0.73
LDTIDD594A1US00.72
LDTIDD594A3GHU0.72
LDTIDD594A3GHT0.72
LDTIDD594A2I170.72
LDTIDD594A2QXW0.72
LDTIDD594A3GHS0.72
LDTIDD594A3GHR0.72
LDTIDD594A2PEV0.72
LDTIDD594A2I160.72
LDTIDD594A2PF80.72
LDTIDD594A2PFH0.72
LDTIDD594A2R240.72
2TN2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDEA2OTF0.77
2TN2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDEA2NUV0.77
2TN2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDEA2OUB0.77
XX62-{[(2R)-2-HYDROXY-3-(9-PHENANTHRYLOXY)PROPYL]AMINO}PROPANE-
1,3-DIOL
A2V3I0.7
XX72-{[(2S)-2-HYDROXY-3-(9-PHENANTHRYLOXY)PROPYL]AMINO}PROPANE-
1,3-DIOL
A2V3R0.7
PH9(2Z)-2-[(1-ADAMANTYLCARBONYL)AMINO]-
3-[4-(2-BROMOPHENOXY)PHENYL]PROP-
2-ENOIC ACID
A1Z4U0.71
505(2R)-1-(2,6-dimethylphenoxy)propan-
2-amine
A2VIN0.75
R88(4-BROMOPHENYL)[4-({(2E)-4-[CYCLOPROPYL(METHYL)AMINO]BUT-
2-ENYL}OXY)PHENYL]METHANONE
A,B,C1H360.71
R71[4-({6-[ALLYL(METHYL)AMINO]HEXYL}OXY)-
2-FLUOROPHENYL](4-BROMOPHENYL)METHANONE
A1W6J0.72
R71[4-({6-[ALLYL(METHYL)AMINO]HEXYL}OXY)-
2-FLUOROPHENYL](4-BROMOPHENYL)METHANONE
A,B,C1GSZ0.72
OHT4-HYDROXYTAMOXIFENA3ERT0.74
OHT4-HYDROXYTAMOXIFENA,B1S9Q0.74
OHT4-HYDROXYTAMOXIFENA,B1VJB0.74
OHT4-HYDROXYTAMOXIFENA,B,C,P,R2JF90.74
OHT4-HYDROXYTAMOXIFENA,B,C,D,E,F2GPV0.74
OHT4-HYDROXYTAMOXIFENA2GPU0.74
OHT4-HYDROXYTAMOXIFENA2P7Z0.74
OHT4-HYDROXYTAMOXIFENA,B2BJ40.74
OHT4-HYDROXYTAMOXIFENA,B2FSZ0.74
RFX(3R)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-
1-amine
A3GWV0.76
TAX(Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)-
PHENOXY]-N,N-DIMETHYLETHANAMINIUM
A1FJ50.77
SFX(3S)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-
1-amine
A3GWW0.76
SNP1-(ISOPROPYLAMINO)-3-(1-NAPHTHYLOXY)-
2-PROPANOL
A1DY40.75
4422-[3,5-DIBROMO-4-(4-HYDROXY-3-{HYDROXY[(2-
PHENYLETHYL)AMINO]METHYL}PHENOXY)PHENYL]ETHANE-
1,1-DIOL
A1R6G0.77
ZHH2-(4-METHOXYPHENYL)ETHANAMINED,H2HKR0.75
ANMANISOMYCIN1,2,4,A,B,C,
D,E,J,K,L,M,
N,O,P,R,S,T,
U,V,Z
1K730.74
ANMANISOMYCIN0,1,3,9,A,B,
C,F,H,J,K,L,
M,N,O,Q,R,S,
T,U,Y,Z
3CC40.74
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,B3BXS0.71
TXF(Z)-4-(1-{4-[2-(DIMETHYLAMINO)ETHOXY]PHENYL}-
5-HYDROXY-2-PHENYLPENT-1-ENYL)PHENOL
A,B,C,D,E2EWP0.74
CTX(Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)-
PHENOXY]-N,N-DIMETHYLETHANAMINE
A,B,C1YA40.73
PZM1-(4-METHOXYPHENYL)METHANAMINEA,D,H2HJB0.72