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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00060321

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
H206-CHLORO-4-(CYCLOHEXYLOXY)-3-ISOPROPYLQUINOLIN-
2(1H)-ONE
A1TL30.75
4BS4-amino-N-[4-(benzyloxy)phenyl]butanamideA3CHR0.75
6172-{[(4-CHLOROPHENOXY)ACETYL]AMINO}BENZOIC ACIDA2QE50.74
IHUN-(2-CHLORO-4-FLUOROBENZOYL)-N'-
(5-HYDROXY-2-METHOXYPHENYL)UREA
A,B2ATI0.72
4BGN-[4-(benzyloxy)phenyl]glycinamideA3CHO0.73
H126-CHLORO-4-(CYCLOHEXYLOXY)-3-PROPYLQUINOLIN-
2(1H)-ONE
A1TKT0.73
GFA2-[4-chloro-2-(phenylcarbonyl)phenoxy]-
N-phenylacetamide
A3DLE0.75
TCC2-(2,4-DICHLORO-PHENYLAMINO)-PHENOLA,B1NHW0.73
D564-(2-aminoethoxy)-N-(3-chloro-2-
ethoxy-5-piperidin-1-ylphenyl)-
3,5-dimethylbenzamide
A2VIW0.7
N4EN-(4-ethoxyphenyl)acetamideA,B,C,D3EBS0.8
UC12-METHYL-FURAN-3-CARBOTHIOIC ACID [4-
CHLORO-3-(3-METHYL-BUT-2-ENYLOXY)-
PHENYL]-AMIDE
A1JLG0.7
UC12-METHYL-FURAN-3-CARBOTHIOIC ACID [4-
CHLORO-3-(3-METHYL-BUT-2-ENYLOXY)-
PHENYL]-AMIDE
A1RT40.7
UC12-METHYL-FURAN-3-CARBOTHIOIC ACID [4-
CHLORO-3-(3-METHYL-BUT-2-ENYLOXY)-
PHENYL]-AMIDE
A,B1S1T0.7
UC12-METHYL-FURAN-3-CARBOTHIOIC ACID [4-
CHLORO-3-(3-METHYL-BUT-2-ENYLOXY)-
PHENYL]-AMIDE
A1S1W0.7
L352-[4-({[(3,5-DICHLOROPHENYL)AMINO]CARBONYL}AMINO)PHENOXY]-
2-METHYLPROPANOIC ACID
A,B2D5X0.74
L352-[4-({[(3,5-DICHLOROPHENYL)AMINO]CARBONYL}AMINO)PHENOXY]-
2-METHYLPROPANOIC ACID
A,B,C,D2D5Z0.74
L352-[4-({[(3,5-DICHLOROPHENYL)AMINO]CARBONYL}AMINO)PHENOXY]-
2-METHYLPROPANOIC ACID
A,B,C,D2D600.74
VG24-(2-aminoethoxy)-N-(3-chloro-5-
piperidin-1-ylphenyl)-3,5-dimethylbenzamide
A2VIV0.72
B5R(2S)-3-(4-chloro-3-fluorophenoxy)-
N-[4-cyano-3-(trifluoromethyl)phenyl]-
2-hydroxy-2-methylpropanamide
A3B5R0.72
L1R4-(2-AMINOETHOXY)-3,5-DICHLORO-
N-[3-(1-METHYLETHOXY)PHENYL]BENZAMIDE
A2VIP0.72
SN98-METHOXY-1-METHYL-4-(4-(4-(1-METHYLPYRIDINIUM-
4-YLAMINO)PHENYLCARBAMOYL)PHENYLAMINO)QUINOLINIUM
A,B1ZPI0.7
T1D5-(4-METHOXYBIPHENYL-3-YL)-1,2,5-
THIADIAZOLIDIN-3-ONE 1,1-DIOXIDE
A2BGD0.71
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)B,C,D1TYM0.73
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)B,C,D1TYL0.73
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A2OCU0.73
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A,B,C,D,F3DJI0.73
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A2DPZ0.73
CLWCHLORZOXAZONEA,B1M9J0.83
CLWCHLORZOXAZONEA,B1M8D0.83
451N-(6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin-
2-yl)acetamide
A3FYX0.72