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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00535787

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
4DP3-[5-(DIMETHYLAMINO)-1,3-DIOXO-
1,3-DIHYDRO-2H-ISOINDOL-2-YL]-L-
ALANINE
C2IPK0.76
KY14-(2-AMINOPHENYL)-4-OXOBUTANOIC ACIDA,B,C,D2CH20.71
GF7(3S)-1-(4-acetylphenyl)-5-oxopyrrolidine-
3-carboxylic acid
A3GQZ0.78
ISNISATINA,B1OJA0.93
ISNISATINA,B2BK50.93
BRW6-BROMOINDIRUBIN-3'-OXIMEA1UV50.7
SG21-METHYL-3-OXO-1,3-DIHYDRO-BENZO[C]ISOTHIAZOLE-
5-SULFONIC ACID AMIDE
A1KWR0.77
C164-(4-methyl-1,3-dioxo-1,3-dihydro-
2H-isoindol-2-yl)benzonitrile
A3BNZ0.82
NID4-NITRO-INDEN-1-ONEA,B1DOH0.72
12Q1-METHYLQUINOLIN-2(1H)-ONEA,B2F640.73
LS53-{[4-([AMINO(IMINO)METHYL]AMINOSULFONYL)ANILINO]METHYLENE}-
2-OXO-2,3-DIHYDRO-1H-INDOLE
A1KE90.7
PYQPYROQUILONA1JA90.75
PYQPYROQUILONA,B,C,D1G0O0.75
3AB3-aminobenzamideA,B,C,D3GOY0.73
4PG1-[4-(2-oxo-2-phenylethyl)phenyl]guanidineU2R2W0.7
EBW4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}-
3-OXOPENTYL)-N,N-DIMETHYL-N-PROP-
2-ENYLBENZENAMINIUM
A1E3Q0.72
SU23-[4-(1-FORMYLPIPERAZIN-4-YL)-BENZYLIDENYL]-
2-INDOLINONE
A,B1AGW0.72
CF39,9,9-TRIFLUORO-8-OXO-N-PHENYLNONANAMIDEA,B,C,D2GH60.7
P34N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-
5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE
A,B3GEY0.72
P34N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-
5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE
A3CE00.72
P34N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-
5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE
A,B1XK90.72
P34N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-
5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE
A2Q6M0.72
P34N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-
5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE
A,B,C,D,E,F1ZM90.72
P1Z4-BUTYL-1,2-DIPHENYL-PYRAZOLIDINE-
3,5-DIONE
A,B2W980.71
P1Z4-BUTYL-1,2-DIPHENYL-PYRAZOLIDINE-
3,5-DIONE
A,B2BXC0.71
P1Z4-BUTYL-1,2-DIPHENYL-PYRAZOLIDINE-
3,5-DIONE
A2BXP0.71
P1Z4-BUTYL-1,2-DIPHENYL-PYRAZOLIDINE-
3,5-DIONE
A2BXQ0.71
AAPALPHA-(2,6-DICHLOROPHENYL)-ALPHA-
(2-ACETYL-5-METHYLANILINO)ACETAMIDE
A1VRU0.72
AAPALPHA-(2,6-DICHLOROPHENYL)-ALPHA-
(2-ACETYL-5-METHYLANILINO)ACETAMIDE
A1HPZ0.72
LS1N-METHYL-4-{[(2-OXO-1,2-DIHYDRO-
3H-INDOL-3-YLIDENE)METHYL]AMINO}BENZENESULFONAMIDE
A1KE50.73
INRA,C1E9H0.78
INRA1UZU0.78
INRA,B1V0O0.78
GIN2-{[(6-OXO-1,6-DIHYDROPYRIDIN-3-
YL)METHYL]AMINO}-N-[4-PROPYL-3-
(TRIFLUOROMETHYL)PHENYL]BENZAMIDE
A,B2HZ00.72
TC83-(2,6-difluorophenyl)-2-(methylthio)quinazolin-
4(3H)-one
A3G3N0.71
IXM(Z)-1H,1'H-[2,3']BIINDOLYLIDENE-
3,2'-DIONE-3-OXIME
A,B1Q410.76
IXM(Z)-1H,1'H-[2,3']BIINDOLYLIDENE-
3,2'-DIONE-3-OXIME
A,B1UNH0.76
IXM(Z)-1H,1'H-[2,3']BIINDOLYLIDENE-
3,2'-DIONE-3-OXIME
A2QKR0.76
TTR9-ACETYL-2,3,4,9-TETRAHYDRO-1H-
CARBAZOL-1-ONE
A2D820.74
TSNTRICHOSTATIN AA,B1T640.75
TSNTRICHOSTATIN AA,B1C3R0.75
TSNTRICHOSTATIN AA,B,C3F0R0.75
TSNTRICHOSTATIN AA,B,C3C100.75
SX34-bromo-2-{[(3R,5S)-3,5-dimethylpiperidin-
1-yl]carbonyl}aniline
A,B3CJ20.7
12BBENZO[CD]INDOL-2(1H)-ONEA,B2F670.79
CRIA,B1VKG0.71
BRYA2BHE0.81
OBA2-(OXALYL-AMINO)-BENZOIC ACIDA1C850.71
NNIO-[2-(1,3-dioxo-1,3-dihydro-2H-
isoindol-2-yl)ethyl] (4-iodophenyl)thiocarbamate
A2VG70.72
AN91,5-BIS[3-(DIETHYLAMINO)PROPIONAMIDO]ANTHRACENE-
9,10-DIONE
A,B1XCU0.75
AAA(2-ACETYL-5-METHYLANILINO)(2,6-
DIBROMOPHENYL)ACETAMIDE
A1HNI0.72