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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01560017

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
GASB,H1ETZ0.82
GASH2CGR0.82
AGBN-(1-ADAMANTYL)-N'-(4-GUANIDINOBENZYL)UREAA1EJN0.81
TPM2-(4-AMINOBENZYLAMINO)-3,4,5,6-
TETRAHYDROPYRIDINIUM
J,K,L1F3D0.81
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.8
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QJU0.78
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QB40.78
SC52-[((R)-{[4-(AMINOMETHYL)PHENYL]AMINO}{[(1R)-
1-PHENYLETHYL]AMINO}METHYL)AMINO]ETHANE-
1,1-DIOL
H1YNK0.77
CVICRYSTAL VIOLETA,B,D,E1JTX0.77
MGRMALACHITE GREENA,B3BQZ0.77
MGRMALACHITE GREENA1Q8N0.77
MGRMALACHITE GREENA,B3BR00.77
MGRMALACHITE GREENA,D,E3BTL0.77
MGRMALACHITE GREENA,B,D,E3BTC0.77
MGRMALACHITE GREENA,B,D,E1JUP0.77
PL01-phenylguanidineA2O8W0.77
BSU1,3-DIPHENYLUREAA3E850.76
BSU1,3-DIPHENYLUREAA2ZJF0.76
SIIN-(4-{[4-(cyclohexylamino)-1-(3-
fluorophenyl)-2-oxo-1,3,8-triazaspiro[4.5]dec-
3-en-8-yl]methyl}phenyl)acetamide
A3FKT0.76
CIUN-CYCLOHEXYL-N'-(4-IODOPHENYL)UREAA,B1EK10.76
CIUN-CYCLOHEXYL-N'-(4-IODOPHENYL)UREAA1VJ50.76
IDMINDOLINEA,B3CEP0.75
IDMINDOLINEA1AEK0.75
A8BA1ODC0.74
4PG1-[4-(2-oxo-2-phenylethyl)phenyl]guanidineU2R2W0.74
MC2N2-(L-PHENYLALANYL)-N1-(NAPHTHALENYL)-
L-ARIGNINAMIDE
A1T9Y0.74
NYLN-ALLYL-ANILINEA1OVK0.74
IXX3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-
N,N-DIMETHYLPROPAN-1-AMINE
A2Q720.74
ZAT4,4'-DIACETYLDIPHENYLUREA-BIS(GUANYLHYDRAZONE)A2W0J0.73
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.73
RJ1N-[2-chloro-5-(trifluoromethyl)phenyl]imidodicarbonimidic diamideA,B,C,D3DGA0.73
264(phenylamino)acetonitrileA2RBN0.73
URSN-PHENYLTHIOUREAA,B1BUG0.72
GP61-(4-AMIDINOPHENYL)-3-(4-CHLOROPHENYL)UREAA1BJU0.72
1MRN-METHYLANILINEX2OTZ0.72
7IG5-{4-[(3,5-DIFLUOROBENZYL)AMINO]PHENYL}-
6-ETHYLPYRIMIDINE-2,4-DIAMINE
A2IKO0.72
7IG5-{4-[(3,5-DIFLUOROBENZYL)AMINO]PHENYL}-
6-ETHYLPYRIMIDINE-2,4-DIAMINE
A2G240.72
UFO1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin-
6-yl)methanamine
A,B,D3GQT0.72
LJHN,N'-(iminodiethane-2,1-diyl)bis(4-
amino-N-benzylbenzenesulfonamide)
A,B3BGC0.7
NR2N-({[4-(AMINOSULFONYL)PHENYL]AMINO}CARBONYL)-
4-METHYLBENZENESULFONAMIDE
A1ZFK0.7
IET1-(4-CYANO-PHENYL)-3-[2-(2,6-DICHLORO-
PHENYL)-1-IMINO-ETHYL]-THIOUREA
A1S6P0.7