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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00600636

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
GVB(3R,4S)-1-(3,4-DIMETHOXYPHENYL)-
3-(3-METHYLPHENYL)PIPERIDIN-4-AMINE
A,B2JID0.76
4BQ(2S)-2-amino-5-oxo-5-[(4-phenylmethoxyphenyl)amino]pentanoic acidA3CHQ0.72
4332-(4-{3-[1-[2-(2-CHLORO-6-FLUORO-
PHENYL)-ETHYL]-3-(2,3-DICHLORO-
PHENYL)-UREIDO]-PROPYL}-PHENOXY)-
2-METHYL-PROPIONIC ACID
A,B1GWX0.72
4BGN-[4-(benzyloxy)phenyl]glycinamideA3CHO0.78
H206-CHLORO-4-(CYCLOHEXYLOXY)-3-ISOPROPYLQUINOLIN-
2(1H)-ONE
A1TL30.73
VG24-(2-aminoethoxy)-N-(3-chloro-5-
piperidin-1-ylphenyl)-3,5-dimethylbenzamide
A2VIV0.76
GFA2-[4-chloro-2-(phenylcarbonyl)phenoxy]-
N-phenylacetamide
A3DLE0.7
N4EN-(4-ethoxyphenyl)acetamideA,B,C,D3EBS0.71
XNI(11S)-10-acetyl-11-[4-(benzyloxy)-
3-chlorophenyl]-3,3-dimethyl-2,3,4,5,10,11-
hexahydro-1H-dibenzo[b,e][1,4]diazepin-
1-one
A,B3CSO0.71
IRE3-CHLORO-4-FLUORO-N-[(4Z)-7-METHOXY-
6-(3-MORPHOLIN-4-YLPROPOXY)QUINAZOLIN-
4(1H)-YLIDENE]ANILINE
A2ITZ0.72
IRE3-CHLORO-4-FLUORO-N-[(4Z)-7-METHOXY-
6-(3-MORPHOLIN-4-YLPROPOXY)QUINAZOLIN-
4(1H)-YLIDENE]ANILINE
A2ITO0.72
IRE3-CHLORO-4-FLUORO-N-[(4Z)-7-METHOXY-
6-(3-MORPHOLIN-4-YLPROPOXY)QUINAZOLIN-
4(1H)-YLIDENE]ANILINE
A2ITY0.72
C7M(2S,3R)-N-[5-CHLORO-2-(2,3-DIHYDRO-
1H-TETRAZOL-1-YL)BENZYL]-3-HYDROXY-
4-{[(4-METHOXYPHENYL)SULFONYL]AMINO}-
1-PHENYLBUTAN-2-AMINIUM
B,I2C8W0.7
UC2N-[4-CLORO-3-(T-BUTYLOXOME)PHENYL-
2-METHYL-3-FURAN-CARBOTHIAMIDE
A1RT50.7
JPR1-(3-chloro-4-methylphenyl)-3-{2-
[({5-[(dimethylamino)methyl]-2-
furyl}methyl)thio]ethyl}urea
A2JPR0.71
D564-(2-aminoethoxy)-N-(3-chloro-2-
ethoxy-5-piperidin-1-ylphenyl)-
3,5-dimethylbenzamide
A2VIW0.72
6172-{[(4-CHLOROPHENOXY)ACETYL]AMINO}BENZOIC ACIDA2QE50.7
H126-CHLORO-4-(CYCLOHEXYLOXY)-3-PROPYLQUINOLIN-
2(1H)-ONE
A1TKT0.73
L051-BENZYL-3-(4-METHOXYPHENYLAMINO)-
4-PHENYLPYRROLE-2,5-DIONE
A,B,C,D,E,F,
G,H
2ACL0.71
T1D5-(4-METHOXYBIPHENYL-3-YL)-1,2,5-
THIADIAZOLIDIN-3-ONE 1,1-DIOXIDE
A2BGD0.72
4BS4-amino-N-[4-(benzyloxy)phenyl]butanamideA3CHR0.77
QUMQUINACRINE MUSTARDA,B1GXF0.79
QUNQUINACRINEA,B1JQE0.74
PZM1-(4-METHOXYPHENYL)METHANAMINEA,D,H2HJB0.73
TCC2-(2,4-DICHLORO-PHENYLAMINO)-PHENOLA,B1NHW0.71
UC12-METHYL-FURAN-3-CARBOTHIOIC ACID [4-
CHLORO-3-(3-METHYL-BUT-2-ENYLOXY)-
PHENYL]-AMIDE
A1JLG0.72
UC12-METHYL-FURAN-3-CARBOTHIOIC ACID [4-
CHLORO-3-(3-METHYL-BUT-2-ENYLOXY)-
PHENYL]-AMIDE
A1RT40.72
UC12-METHYL-FURAN-3-CARBOTHIOIC ACID [4-
CHLORO-3-(3-METHYL-BUT-2-ENYLOXY)-
PHENYL]-AMIDE
A,B1S1T0.72
UC12-METHYL-FURAN-3-CARBOTHIOIC ACID [4-
CHLORO-3-(3-METHYL-BUT-2-ENYLOXY)-
PHENYL]-AMIDE
A1S1W0.72
4BO(3S)-3-amino-4-oxo-4-[(4-phenylmethoxyphenyl)amino]butanoic acidA3CHP0.7
L1R4-(2-AMINOETHOXY)-3,5-DICHLORO-
N-[3-(1-METHYLETHOXY)PHENYL]BENZAMIDE
A2VIP0.75
CLWCHLORZOXAZONEA,B1M9J0.71
CLWCHLORZOXAZONEA,B1M8D0.71
ROSN,N'-TETRAMETHYL-ROSAMINEA1F1T0.7
451N-(6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin-
2-yl)acetamide
A3FYX0.7
LO22-{4-[butyl(3-chloro-4,5-dimethoxybenzyl)amino]phenyl}-
1,1,1,3,3,3-hexafluoropropan-2-
ol
A,B,C,D3FAL0.76