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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00277485

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
AQO2-AMINOQUINAZOLIN-4(3H)-ONEA1S390.82
H186-CHLORO-4-(CYCLOHEXYLSULFINYL)-
3-PROPYLQUINOLIN-2(1H)-ONE
A1TL10.7
U89N-[4-[[3-(2,4-DIAMINO-1,6-DIHYDRO-
6-OXO-4-PYRIMIDINYL)-PROPYL]-[2-
((2-OXO-2-((4-PHOSPHORIBOXY)-BUTYL)-
AMINO)-ETHYL)-THIO-ACETYL]-AMINO]BENZOYL]-
1-GLUTAMIC ACID
A,B1GAR0.7
4PG1-[4-(2-oxo-2-phenylethyl)phenyl]guanidineU2R2W0.75
ISNISATINA,B1OJA0.75
ISNISATINA,B2BK50.75
XXZ1-[4-(AMINOMETHYL)BENZOYL]-5'-FLUORO-
1'H-SPIRO[PIPERIDINE-4,2'-QUINAZOLIN]-
4'-AMINE
A,B3E650.72
H166-CHLORO-4-(CYCLOHEXYLSULFANYL)-
3-PROPYLQUINOLIN-2(1H)-ONE
A1TKZ0.71
SY12-({2-[(3R)-3-AMINOPIPERIDIN-1-
YL]-4-OXOQUINAZOLIN-3(4H)-YL}METHYL)BENZONITRILE
A,B,C,D2ONC0.71
BOSN-[4-(AMINOSULFONYL)PHENYL]-2-MERCAPTOBENZAMIDEA2HD60.75
TC83-(2,6-difluorophenyl)-2-(methylthio)quinazolin-
4(3H)-one
A3G3N0.85
6756-[(Z)-AMINO(IMINO)METHYL]-N-PHENYL-
2-NAPHTHAMIDE
A1OWE0.7
AN91,5-BIS[3-(DIETHYLAMINO)PROPIONAMIDO]ANTHRACENE-
9,10-DIONE
A,B1XCU0.72
OCHQUINOLIN-2(1H)-ONEA,B,C,D,E,F1Z030.73
XX43-(2-AMINO-6-BENZOYLQUINAZOLIN-
3(4H)-YL)-N-CYCLOHEXYL-N-METHYLPROPANAMIDE
A,B,C2Q110.72
KMB2-AMINO-6-AMINOMETHYL-8-PHENYLSULFANYLMETHYL-
3H-QUINAZOLIN-4-ONE
A1Q660.77
DQB4-[(4-{[(2-AMINO-4-OXO-3,4-DIHYDROQUINAZOLIN-
6-YL)METHYL]AMINO}BENZOYL)AMINO]BUTANOIC ACID
A1ZLY0.74
MRA2-[(4-ETHYNYL-2-FLUOROPHENYL)AMINO]-
3,4-DIFLUORO-N-(2-HYDROXYETHOXY)BENZAMIDE
A2P550.71
3AB3-aminobenzamideA,B,C,D3GOY0.71
FRM2-{3-[4-(4-FLUOROPHENYL)-3,6-DIHYDRO-
1(2H)-PYRIDINYL]PROPYL}-8-METHYL-
4(3H)-QUINAZOLINONE
A,B1UK00.73
MAQ2-AMINO-8-METHYLQUINAZOLIN-4(3H)-
ONE
A1S380.82
LS53-{[4-([AMINO(IMINO)METHYL]AMINOSULFONYL)ANILINO]METHYLENE}-
2-OXO-2,3-DIHYDRO-1H-INDOLE
A1KE90.71
APQ2,6-DIAMINO-8-PROPYLSULFANYLMETHYL-
3H-QUINAZOLINE-4-ONE
A1K4H0.83
BHB2,6-DIAMINO-8-(2-DIMETHYLAMINOETHYLSULFANYLMETHYL)-
3H-QUINAZOLIN-4-ONE
A1Q650.81
38M3-(3-chlorophenyl)-2-({(1S)-1-[(6S)-
2,8-diazaspiro[5.5]undec-2-ylcarbonyl]pentyl}sulfanyl)quinazolin-
4(3H)-one
A3F9N0.78
FRQ5-FLUORO-1-[4-(4-PHENYL-3,6-DIHYDROPYRIDIN-
1(2H)-YL)BUTYL]QUINAZOLINE-2,4(1H,3H)-
DIONE
A,B1UK10.71
GIN2-{[(6-OXO-1,6-DIHYDROPYRIDIN-3-
YL)METHYL]AMINO}-N-[4-PROPYL-3-
(TRIFLUOROMETHYL)PHENYL]BENZAMIDE
A,B2HZ00.74
ZMG(5R)-2-[(2-fluorophenyl)amino]-
5-(1-methylethyl)-1,3-thiazol-4(5H)-
one
A,B,C,D2RBE0.74
BAGN-[(E)-2-AMINO-1-(3-{[AMINO(IMINO)METHYL]AMINO}PROPYL)-
2-HYDROXYVINYL]BENZAMIDE
A1WDA0.7