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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00592573

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PHJN-[(AMINOOXY)CARBONYL]-N-PHENYLAMINEA,B1UR90.79
AGBN-(1-ADAMANTYL)-N'-(4-GUANIDINOBENZYL)UREAA1EJN0.71
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QJU0.74
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QB40.74
LGD6-[BIS(2,2,2-TRIFLUOROETHYL)AMINO]-
4-(TRIFLUOROMETHYL)QUINOLIN-2(1H)-
ONE
A2HVC0.7
ZAT4,4'-DIACETYLDIPHENYLUREA-BIS(GUANYLHYDRAZONE)A2W0J0.74
T2D1,2,5-THIADIAZOLIDIN-3-ONE-1,1-
DIOXIDE
A2BGE0.72
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA1C3S0.73
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA,B,C3C0Z0.73
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA1T690.73
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA,B,C,D1ZZ10.73
SC52-[((R)-{[4-(AMINOMETHYL)PHENYL]AMINO}{[(1R)-
1-PHENYLETHYL]AMINO}METHYL)AMINO]ETHANE-
1,1-DIOL
H1YNK0.73
PL01-phenylguanidineA2O8W0.8
CVICRYSTAL VIOLETA,B,D,E1JTX0.71
NP2N-(3-AMINOPROPYL)-2-NITROBENZENAMINEA1WUM0.7
GP61-(4-AMIDINOPHENYL)-3-(4-CHLOROPHENYL)UREAA1BJU0.73
IXX3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-
N,N-DIMETHYLPROPAN-1-AMINE
A2Q720.71
427(R)-1-(4-(4-(HYDROXYMETHYL)-1,3,2-
DIOXABOROLAN-2-YL)PHENYL)GUANIDINE
A1ZMN0.7
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.71
1712-PHENYLAMINO-ETHANESULFONIC ACIDA,B1SXG0.71
BSU1,3-DIPHENYLUREAA3E850.94
BSU1,3-DIPHENYLUREAA2ZJF0.94
CIUN-CYCLOHEXYL-N'-(4-IODOPHENYL)UREAA,B1EK10.89
CIUN-CYCLOHEXYL-N'-(4-IODOPHENYL)UREAA1VJ50.89
264(phenylamino)acetonitrileA2RBN0.79
EOB{1,3-PHENYLENEBIS[IMINO(2-OXOETHANE-
2,1-DIYL)]}BIS(PHOSPHONIC ACID)
A,B,C,D2FZG0.71
MGRMALACHITE GREENA,B3BQZ0.71
MGRMALACHITE GREENA1Q8N0.71
MGRMALACHITE GREENA,B3BR00.71
MGRMALACHITE GREENA,D,E3BTL0.71
MGRMALACHITE GREENA,B,D,E3BTC0.71
MGRMALACHITE GREENA,B,D,E1JUP0.71
NYLN-ALLYL-ANILINEA1OVK0.79
4NDN4-(N,N-DIPHENYLCARBAMOYL)-AMINOGUANIDINEH,I1NO90.79
IS2[(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACIDA1O4J0.71
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.71
566(3S)-1-CYCLOHEXYL-5-OXO-N-PHENYLPYRROLIDINE-
3-CARBOXAMIDE
A2H7I0.75
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA1S6R0.76
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA,B1K6S0.76
PH3N-(CHLOROPHENYL)-N'-HYDROXYGUANIDINEA,B1DM60.71
AFF2-ACETYLAMINOFLUORENE-3-YLA2GE20.72
1MRN-METHYLANILINEX2OTZ0.81
URSN-PHENYLTHIOUREAA,B1BUG0.8
NR2N-({[4-(AMINOSULFONYL)PHENYL]AMINO}CARBONYL)-
4-METHYLBENZENESULFONAMIDE
A1ZFK0.74
CF39,9,9-TRIFLUORO-8-OXO-N-PHENYLNONANAMIDEA,B,C,D2GH60.71
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.76