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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02544412

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
G1L3-CHLORO-2,2-DIMETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDEA,B2I800.72
IDMINDOLINEA,B3CEP0.71
IDMINDOLINEA1AEK0.71
PRY2-PROPYL-ANILINEA1OWY0.73
BSU1,3-DIPHENYLUREAA3E850.71
BSU1,3-DIPHENYLUREAA2ZJF0.71
H166-CHLORO-4-(CYCLOHEXYLSULFANYL)-
3-PROPYLQUINOLIN-2(1H)-ONE
A1TKZ0.71
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.71
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.72
XYD2,5-DIMETHYLANILINEA1L4L0.72
TB94-CHLORO-8-METHYL-7-(3-METHYL-BUT-
2-ENYL)-6,7,8,9-TETRAHYDRO-2H-2,7,9A-
TRIAZA-BENZO[CD]AZULENE-1-THIONE
A1REV0.78
TB94-CHLORO-8-METHYL-7-(3-METHYL-BUT-
2-ENYL)-6,7,8,9-TETRAHYDRO-2H-2,7,9A-
TRIAZA-BENZO[CD]AZULENE-1-THIONE
A1TVR0.78
CXX3-(3-CHLORO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N,N-DIMETHYLPROPAN-1-AMINE
A2Q6H0.73
CXX3-(3-CHLORO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N,N-DIMETHYLPROPAN-1-AMINE
A2QEI0.73
2CM2-CHLORO-6-METHYL-ANILINEA1OVH0.79
IET1-(4-CYANO-PHENYL)-3-[2-(2,6-DICHLORO-
PHENYL)-1-IMINO-ETHYL]-THIOUREA
A1S6P0.78
RJ1N-[2-chloro-5-(trifluoromethyl)phenyl]imidodicarbonimidic diamideA,B,C,D3DGA0.81
GP61-(4-AMIDINOPHENYL)-3-(4-CHLOROPHENYL)UREAA1BJU0.79
PL01-phenylguanidineA2O8W0.72
TBO5-CHLORO-8-METHYL-7-(3-METHYL-BUT-
2-ENYL)-6,7,8,9-TETRAHYDRO-2H-2,7,9A-
TRIAZA-BENZO[CD]AZULENE-1-THIONE
A1HNV0.77
TBO5-CHLORO-8-METHYL-7-(3-METHYL-BUT-
2-ENYL)-6,7,8,9-TETRAHYDRO-2H-2,7,9A-
TRIAZA-BENZO[CD]AZULENE-1-THIONE
A1UWB0.77
PH3N-(CHLOROPHENYL)-N'-HYDROXYGUANIDINEA,B1DM60.79
URSN-PHENYLTHIOUREAA,B1BUG0.8