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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00600578

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
7714-(4-BENZYLOXY-2-METHANESULFONYLAMINO-
5-METHOXY-BENZYLAMINO)-BENZAMIDINE
H,L1W0Y0.71
VG24-(2-aminoethoxy)-N-(3-chloro-5-
piperidin-1-ylphenyl)-3,5-dimethylbenzamide
A2VIV0.71
4332-(4-{3-[1-[2-(2-CHLORO-6-FLUORO-
PHENYL)-ETHYL]-3-(2,3-DICHLORO-
PHENYL)-UREIDO]-PROPYL}-PHENOXY)-
2-METHYL-PROPIONIC ACID
A,B1GWX0.7
451N-(6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin-
2-yl)acetamide
A3FYX0.71
7X3N'-(3-CHLORO-4-METHOXY-PHENYL)-
N-(3,4,5-TRIMETHOXYPHENYL)-1,3,5-
TRIAZINE-2,4-DIAMINE
A2VWV0.72
DPDA,B1QIW0.71
DPDA1QIV0.71
C187-[(3-CHLOROBENZYL)OXY]-4-[(METHYLAMINO)METHYL]-
2H-CHROMEN-2-ONE
A,B2V610.71
4BS4-amino-N-[4-(benzyloxy)phenyl]butanamideA3CHR0.72
IRE3-CHLORO-4-FLUORO-N-[(4Z)-7-METHOXY-
6-(3-MORPHOLIN-4-YLPROPOXY)QUINAZOLIN-
4(1H)-YLIDENE]ANILINE
A2ITZ0.76
IRE3-CHLORO-4-FLUORO-N-[(4Z)-7-METHOXY-
6-(3-MORPHOLIN-4-YLPROPOXY)QUINAZOLIN-
4(1H)-YLIDENE]ANILINE
A2ITO0.76
IRE3-CHLORO-4-FLUORO-N-[(4Z)-7-METHOXY-
6-(3-MORPHOLIN-4-YLPROPOXY)QUINAZOLIN-
4(1H)-YLIDENE]ANILINE
A2ITY0.76
LO22-{4-[butyl(3-chloro-4,5-dimethoxybenzyl)amino]phenyl}-
1,1,1,3,3,3-hexafluoropropan-2-
ol
A,B,C,D3FAL0.8
4BGN-[4-(benzyloxy)phenyl]glycinamideA3CHO0.71
QUMQUINACRINE MUSTARDA,B1GXF0.74
TQD(2R,6S)-6-{[methyl(3,4,5-trimethoxyphenyl)amino]methyl}-
1,2,5,6,7,8-hexahydroquinazoline-
2,4-diamine
A1S3V0.74
TQD(2R,6S)-6-{[methyl(3,4,5-trimethoxyphenyl)amino]methyl}-
1,2,5,6,7,8-hexahydroquinazoline-
2,4-diamine
A1S3U0.74
346(R)-(4-CARBAMIMIDOYL-PHENYLAMINO)-
[5-ETHOXY-2-FLUORO-3-[(R)-TETRAHYDRO-
FURAN-3-YLOXY]-PHENYL]-ACETIC ACID
H2BZ60.7
IC13-[(2,4,6-TRIMETHOXY-PHENYL)-METHYLENE]-
INDOLIN-2-ONE
A,B1EH40.71