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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03264740

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
A8BA1ODC0.74
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA1S6R0.72
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA,B1K6S0.72
ISNISATINA,B1OJA0.74
ISNISATINA,B2BK50.74
12BBENZO[CD]INDOL-2(1H)-ONEA,B2F670.7
IS2[(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACIDA1O4J0.72
3AB3-aminobenzamideA,B,C,D3GOY0.7
4PG1-[4-(2-oxo-2-phenylethyl)phenyl]guanidineU2R2W0.73
LI63,4-DIHYDROXY-1-METHYLQUINOLIN-
2(1H)-ONE
A1YXV0.7
GWB4-[(CYCLOPROPYLETHYNYL)OXY]-6-FLUORO-
3-ISOPROPYLQUINOLIN-2(1H)-ONE
A1TKX0.7
PRY2-PROPYL-ANILINEA1OWY0.73
NYLN-ALLYL-ANILINEA1OVK0.71
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.72
XYD2,5-DIMETHYLANILINEA1L4L0.72
12Q1-METHYLQUINOLIN-2(1H)-ONEA,B2F640.84
MAQ2-AMINO-8-METHYLQUINAZOLIN-4(3H)-
ONE
A1S380.73
G1L3-CHLORO-2,2-DIMETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDEA,B2I800.73
LGD6-[BIS(2,2,2-TRIFLUOROETHYL)AMINO]-
4-(TRIFLUOROMETHYL)QUINOLIN-2(1H)-
ONE
A2HVC0.81
H166-CHLORO-4-(CYCLOHEXYLSULFANYL)-
3-PROPYLQUINOLIN-2(1H)-ONE
A1TKZ0.73
AFF2-ACETYLAMINOFLUORENE-3-YLA2GE20.74
H186-CHLORO-4-(CYCLOHEXYLSULFINYL)-
3-PROPYLQUINOLIN-2(1H)-ONE
A1TL10.71
AQO2-AMINOQUINAZOLIN-4(3H)-ONEA1S390.73
G3E3-hydroxyquinolin-2(1H)-oneA,B,C,D3G3E0.85
IDMINDOLINEA,B3CEP0.74
IDMINDOLINEA1AEK0.74
EBW4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}-
3-OXOPENTYL)-N,N-DIMETHYL-N-PROP-
2-ENYLBENZENAMINIUM
A1E3Q0.71
LO1[[4-(AMINOMETHYL)PHENYL]AMINO]OXO-
ACETIC ACID,
A1WAX0.7
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.7
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QJU0.71
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QB40.71
OCHQUINOLIN-2(1H)-ONEA,B,C,D,E,F1Z030.91
CF39,9,9-TRIFLUORO-8-OXO-N-PHENYLNONANAMIDEA,B,C,D2GH60.71