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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01623680

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PH3N-(CHLOROPHENYL)-N'-HYDROXYGUANIDINEA,B1DM60.73
CLU2,6-DICHLORO-N-IMIDAZOLIDIN-2-YLIDENEANILINEA,B,D,E2PNC0.7
GP61-(4-AMIDINOPHENYL)-3-(4-CHLOROPHENYL)UREAA1BJU0.77
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.73
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.7
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
A1REV0.77
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
A1TVR0.77
264(phenylamino)acetonitrileA2RBN0.71
NYLN-ALLYL-ANILINEA1OVK0.71
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
A1HNV0.76
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
A1UWB0.76
URSN-PHENYLTHIOUREAA,B1BUG0.75
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QJU0.7
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QB40.7
2CM2-CHLORO-6-METHYL-ANILINEA1OVH0.75
IET1-(4-CYANO-PHENYL)-3-[2-(2,6-DICHLORO-
PHENYL)-1-IMINO-ETHYL]-THIOUREA
A1S6P0.77
RJ1N-[2-chloro-5-(trifluoromethyl)phenyl]imidodicarbonimidic diamideA,B,C,D3DGA0.81
CXX3-(3-CHLORO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N,N-DIMETHYLPROPAN-1-AMINE
A2Q6H0.72
CXX3-(3-CHLORO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N,N-DIMETHYLPROPAN-1-AMINE
A2QEI0.72
SC52-[((R)-{[4-(AMINOMETHYL)PHENYL]AMINO}{[(1R)-
1-PHENYLETHYL]AMINO}METHYL)AMINO]ETHANE-
1,1-DIOL
H1YNK0.71
1MRN-METHYLANILINEX2OTZ0.71
IDMINDOLINEA,B3CEP0.72
IDMINDOLINEA1AEK0.72