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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00906428

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
C2IPK0.71
BRW6-BROMOINDIRUBIN-3'-OXIMEA1UV50.7
PYQPYROQUILONA1JA90.72
PYQPYROQUILONA,B,C,D1G0O0.72
GF7(3S)-1-(4-acetylphenyl)-5-oxopyrrolidine-
3-carboxylic acid
A3GQZ0.72
LS53-{[4-([AMINO(IMINO)METHYL]AMINOSULFONYL)ANILINO]METHYLENE}-
2-OXO-2,3-DIHYDRO-1H-INDOLE
A1KE90.7
SG21-METHYL-3-OXO-1,3-DIHYDRO-BENZO[C]ISOTHIAZOLE-
5-SULFONIC ACID AMIDE
A1KWR0.73
OCHQUINOLIN-2(1H)-ONEA,B,C,D,E,F1Z030.71
OBA2-(OXALYL-AMINO)-BENZOIC ACIDA1C850.72
4PG1-[4-(2-oxo-2-phenylethyl)phenyl]guanidineU2R2W0.7
ISNISATINA,B1OJA0.95
ISNISATINA,B2BK50.95
CF39,9,9-TRIFLUORO-8-OXO-N-PHENYLNONANAMIDEA,B,C,D2GH60.7
TSNTRICHOSTATIN AA,B1T640.71
TSNTRICHOSTATIN AA,B1C3R0.71
TSNTRICHOSTATIN AA,B,C3F0R0.71
TSNTRICHOSTATIN AA,B,C3C100.71
NNIO-[2-(1,3-dioxo-1,3-dihydro-2H-
isoindol-2-yl)ethyl] (4-iodophenyl)thiocarbamate
A2VG70.73
GIN2-{[(6-OXO-1,6-DIHYDROPYRIDIN-3-
YL)METHYL]AMINO}-N-[4-PROPYL-3-
(TRIFLUOROMETHYL)PHENYL]BENZAMIDE
A,B2HZ00.7
INRA,C1E9H0.78
INRA1UZU0.78
INRA,B1V0O0.78
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
3AB3-aminobenzamideA,B,C,D3GOY0.71
C164-(4-methyl-1,3-dioxo-1,3-dihydro-
2H-isoindol-2-yl)benzonitrile
A3BNZ0.74
AAPALPHA-(2,6-DICHLOROPHENYL)-ALPHA-
(2-ACETYL-5-METHYLANILINO)ACETAMIDE
A1VRU0.7
AAPALPHA-(2,6-DICHLOROPHENYL)-ALPHA-
(2-ACETYL-5-METHYLANILINO)ACETAMIDE
A1HPZ0.7
MAQ2-AMINO-8-METHYLQUINAZOLIN-4(3H)-
ONE
A1S380.71
SU23-[4-(1-FORMYLPIPERAZIN-4-YL)-BENZYLIDENYL]-
2-INDOLINONE
A,B1AGW0.71
AAA(2-ACETYL-5-METHYLANILINO)(2,6-
DIBROMOPHENYL)ACETAMIDE
A1HNI0.7
12BBENZO[CD]INDOL-2(1H)-ONEA,B2F670.8
BRYA2BHE0.81
8785-IODO-2-(OXALYL-AMINO)-BENZOIC ACIDA1ECV0.74
AN91,5-BIS[3-(DIETHYLAMINO)PROPIONAMIDO]ANTHRACENE-
9,10-DIONE
A,B1XCU0.73
4BMN-{[(2R)-2,3-dihydroxypropyl]oxy}-
3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]benzamide
A3EQG0.71
LS1N-METHYL-4-{[(2-OXO-1,2-DIHYDRO-
3H-INDOL-3-YLIDENE)METHYL]AMINO}BENZENESULFONAMIDE
A1KE50.72
RXAisoquinoline-1,3,4(2H)-trioneA,B,C,D3DEH0.72