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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03295222

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
ISNISATINA,B1OJA0.92
ISNISATINA,B2BK50.92
12BBENZO[CD]INDOL-2(1H)-ONEA,B2F670.78
INRA,C1E9H0.76
INRA1UZU0.76
INRA,B1V0O0.76
PYQPYROQUILONA1JA90.72
PYQPYROQUILONA,B,C,D1G0O0.72
CF39,9,9-TRIFLUORO-8-OXO-N-PHENYLNONANAMIDEA,B,C,D2GH60.73
3AB3-aminobenzamideA,B,C,D3GOY0.7
SU23-[4-(1-FORMYLPIPERAZIN-4-YL)-BENZYLIDENYL]-
2-INDOLINONE
A,B1AGW0.7
TTR9-ACETYL-2,3,4,9-TETRAHYDRO-1H-
CARBAZOL-1-ONE
A2D820.71
SG21-METHYL-3-OXO-1,3-DIHYDRO-BENZO[C]ISOTHIAZOLE-
5-SULFONIC ACID AMIDE
A1KWR0.73
IXM(Z)-1H,1'H-[2,3']BIINDOLYLIDENE-
3,2'-DIONE-3-OXIME
A,B1Q410.74
IXM(Z)-1H,1'H-[2,3']BIINDOLYLIDENE-
3,2'-DIONE-3-OXIME
A,B1UNH0.74
IXM(Z)-1H,1'H-[2,3']BIINDOLYLIDENE-
3,2'-DIONE-3-OXIME
A2QKR0.74
GF7(3S)-1-(4-acetylphenyl)-5-oxopyrrolidine-
3-carboxylic acid
A3GQZ0.74
AN91,5-BIS[3-(DIETHYLAMINO)PROPIONAMIDO]ANTHRACENE-
9,10-DIONE
A,B1XCU0.72
NID4-NITRO-INDEN-1-ONEA,B1DOH0.71
TC83-(2,6-difluorophenyl)-2-(methylthio)quinazolin-
4(3H)-one
A3G3N0.71
4DP3-[5-(DIMETHYLAMINO)-1,3-DIOXO-
1,3-DIHYDRO-2H-ISOINDOL-2-YL]-L-
ALANINE
C2IPK0.72
GIN2-{[(6-OXO-1,6-DIHYDROPYRIDIN-3-
YL)METHYL]AMINO}-N-[4-PROPYL-3-
(TRIFLUOROMETHYL)PHENYL]BENZAMIDE
A,B2HZ00.73
LS1N-METHYL-4-{[(2-OXO-1,2-DIHYDRO-
3H-INDOL-3-YLIDENE)METHYL]AMINO}BENZENESULFONAMIDE
A1KE50.7
TSNTRICHOSTATIN AA,B1T640.72
TSNTRICHOSTATIN AA,B1C3R0.72
TSNTRICHOSTATIN AA,B,C3F0R0.72
TSNTRICHOSTATIN AA,B,C3C100.72
C164-(4-methyl-1,3-dioxo-1,3-dihydro-
2H-isoindol-2-yl)benzonitrile
A3BNZ0.78
NNIO-[2-(1,3-dioxo-1,3-dihydro-2H-
isoindol-2-yl)ethyl] (4-iodophenyl)thiocarbamate
A2VG70.7
BRYA2BHE0.79