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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01611149

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
CS9N'-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-
2-HYDROXY-2-[(2R,4R)-4-PHENOXYPYRROLIDIN-
2-YL]ETHYL}-5-METHYL-N,N-DIPROPYLISOPHTHALAMIDE
A,B2QMF0.73
DBON-{(1S,2R)-1-BENZYL-2-HYDROXY-3-
[(3-METHYLBENZYL)AMINO]PROPYL}DIBENZO[B,F]OXEPINE-
10-CARBOXAMIDE
A,B,C,D2EWY0.73
CS5N'-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-
2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}-
5-METHYL-N,N-DIPROPYLISOPHTHALAMIDE
A,B2QK50.73
L75N-[2(R)-HYDROXY-1(S)-INDANYL]-2(R)-
PHENYLMETHYL-4(S)-HYDROXY-5-[4-
[2-BENZOFURANYLMETHYL]-2(S)-[TERT-
BUTYLAMINOCARBONYL]-PIPERAZINYL]-
PENTANEAMIDE
B1C700.8
K55(2S)-2-{4-butoxy-3-[({[2-fluoro-
4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]benzyl}butanoic acid
A,B2ZNP0.72
R19ALLYL-{6-[3-(4-BROMO-PHENYL)-BENZOFURAN-
6-YLOXY]-HEXYL-}-METHYL-AMIN
A,B,C1O6R0.75
B8L3-[(3-SEC-BUTYL-4-HYDROXYBENZOYL)AMINO]AZEPAN-
4-YL 4-(2-HYDROXY-5-METHOXYBENZOYL)BENZOATE
A1REK0.72
CC1{4-[2-ACETYLAMINO-2-(3-CARBAMOYL-
2-CYCLOHEXYLMETHOXY-6,7,8,9-TETRAHYDRO-
5H-BENZOCYCLOHEPTEN-5YLCARBAMOYL)-
ETHYL]-2-PHOSPHONO-PHENYL}-PHOSPHONIC ACID
A,B1FBZ0.73
11M1-(1'-{[3-(methylsulfanyl)-2-benzothiophen-
1-yl]carbonyl}spiro[1-benzofuran-
3,4'-piperidin]-5-yl)methanamine
A,B,C,D2ZEB0.79
IN31-(N-BENZYLOXYCARBONYL-L-LEUCINYL)-
5-(3-BENZYLOXY BENZOYL)CARBOHYDRAZIDE
A1AYW0.71
MFNN-[4,5,7-TRICARBOXYHEPTANOYL]-L-
GAMMA-GLUTAMYL-N-{2-[4-({5-[(FORMYLAMINO)METHYL]-
3-FURYL}METHOXY)PHENYL]ETHYL}-D-
GLUTAMINE
A,B,C,D2FHK0.72
MFNN-[4,5,7-TRICARBOXYHEPTANOYL]-L-
GAMMA-GLUTAMYL-N-{2-[4-({5-[(FORMYLAMINO)METHYL]-
3-FURYL}METHOXY)PHENYL]ETHYL}-D-
GLUTAMINE
A,B,C,D2FHJ0.72
AI1N-BENZYL-3-(ALPHA-D-GALACTOS-1-
YL)-BENZAMIDE
D,E,F,G,H,L,
M,N,O,P
1FD70.71
D182,5-BIS{[4-(N-ISOPROPYL)DIAMINOMETHYL]PHENYL}FURANB298D0.74
R71[4-({6-[ALLYL(METHYL)AMINO]HEXYL}OXY)-
2-FLUOROPHENYL](4-BROMOPHENYL)METHANONE
A1W6J0.7
R71[4-({6-[ALLYL(METHYL)AMINO]HEXYL}OXY)-
2-FLUOROPHENYL](4-BROMOPHENYL)METHANONE
A,B,C1GSZ0.7
E201-BENZYL-4-[(5,6-DIMETHOXY-1-INDANON-
2-YL)METHYL]PIPERIDINE
A1EVE0.77
C39N-[(2S,4S,5S,7R)-4-AMINO-8-(BUTYLAMINO)-
5-HYDROXY-7-METHYL-2-(1-METHYLETHYL)-
8-OXOOCTYL]-2-(3-METHOXYPROPOXY)BENZAMIDE
C,O2V120.74
PI8N-13-[(10S,13S)-9,12-DIOXO-10-(2-
BUTYL)-2-OXA-8,11-DIAZABICYCLO [13.2.2] NONADECA-
15,17,18-TRIENE] (2R)-BENZYL-(4S)-
HYDROXY-5-AMINOPENTANOIC (1R)-HYDROXY-
(2S)-INDANEAMIDE
A,B1D4K0.73
4MP1-(4-METHOXYBENZOYL)-2-PYRROLIDINONEA,B2AL50.76
L013-[({(1S,2R)-1-BENZYL-2-HYDROXY-
3-[(3-METHOXYBENZYL)AMINO]PROPYL}AMINO)(HYDROXY)METHYL]-
N,N-DIPROPYLBENZAMIDE
A1W510.74
NHNA,C2GVF0.72
GL8GALANTHAMINE DERIVATIVEA1W4L0.71
LZP4,4'-piperazine-1,4-diylbis{1-[3-
(benzyloxy)phenyl]-4-oxobutane-
1,3-dione}
A3EAX0.78
DCH3-(7-DIAMINOMETHYL-NAPHTHALEN-2-
YL)-PROPIONIC ACID ETHYL ESTER
H1UVU0.7
2FF(5-(aminomethyl)-2H-spiro[benzofuran-
3,4'-piperidine]-1'-yl)(5-(phenylethynyl)furan-
2-yl)methanone
A,B,C,D2ZA50.82
C01(2S)-(4-ISOPROPYLPHENYL)[(2-METHYL-
3-OXO-5,7-DIPROPYL-2,3-DIHYDRO-
1,2-BENZISOXAZOL-6-YL)OXY]ACETATE
A1ZEO0.72
CX62,3,6A,7,8,9-HEXAHYDRO-11H-[1,4]DIOXINO[2,3-
G]PYRROLO[2,1-B][1,3]BENZOXAZIN-
11-ONE
A,B,C,D,E,F2AL40.73
11N1-[1'-(3-phenylacryloyl)spiro[1-
benzofuran-3,4'-piperidin]-5-yl]methanamine
A,B,C,D2ZEC0.8
D242,5-BIS-[4-[CYCLOPENTA-1,3-DIEN-
5-YLAMINO-1-AMINOMETHYL]-PHEN-1-
YL]FURAN
B1EEL0.72
DEOA,B1ROS0.82
C40N-[(2R,4S,5S,7R)-4-AMINO-8-(BUTYLAMINO)-
5-HYDROXY-2,7-DIMETHYL-8-OXOOCTYL]-
2-(3-METHOXYPROPOXY)BENZAMIDE
A2V130.73
SC6N-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-
2-HYDROXY-2-[(2R,4R)-4-PHENOXYPYRROLIDIN-
2-YL]ETHYL}-3-{[(2R)-2-(METHOXYMETHYL)PYRROLIDIN-
1-YL]CARBONYL}-5-METHYLBENZAMIDE
A,B2QMG0.72
D352,5-BIS{[4-(N-CYCLOHEXYLDIAMINOMETHYL)PHENYL]}FURANA1FMS0.73
LLB[6-hydroxy-2-(4-hydroxyphenyl)-
1-benzothien-3-yl]{4-[2-(4-methylpiperidin-
1-yl)ethoxy]phenyl}methanone
A,B2R6W0.71
FLQN-[6-(ACETYLAMINO)HEXYL]-3',6'-
DIHYDROXY-3-OXO-3H-SPIRO[2-BENZOFURAN-
1,9'-XANTHENE]-6-CARBOXAMIDE
C2FDC0.76
EH5N-(1-BENZYL-3-{[3-(1,3-DIOXO-1,3-
DIHYDRO-ISOINDOL-2-YL)-PROPIONYL]-
[2-(HEXAHYDRO-BENZO[1,3]DIOXOL-
5-YL)-ETHYL]-AMINO}-2-HYDROXY-PROPYL)-
4-BENZYLOXY-3,5-DIMETHOXY-BENZAMIDE
A1LF30.7
SB82-(3-BENZOYLPHENOXY)ETHYL(HYDROXY)FORMAMIDEA2AIA0.7
9971-[3,3-DIMETHYL-2-(2-METHYLAMINO-
PROPIONYLAMINO)-BUTYRYL]-4-PHENOXY-
PYRROLIDINE-2-CARBOXYLIC ACID(1,2,3,4-
TETRAHYDRO-NAPHTHALEN-1-YL)-AMIDE
A1TFT0.7
D342,5-BIS{[4-(N-CYCLOBUTYLDIAMINOMETHYL)PHENYL]}FURANA1FMQ0.72
R17ALLYL-{4-[3-(4-BROMO-PHENYL)-BENZOFURAN-
6-YLOXY]-BUT-2-ENYL}-METHYL-AMINE
A,B,C1O6Q0.73
RALRALOXIFENEA,B2JFA0.71
RALRALOXIFENEA,B1ERR0.71
RALRALOXIFENEA,B2QXS0.71
RALRALOXIFENEA1QKN0.71
S44(2S)-2-(4-propoxy-3-{[({4-[(3S,5S,7S)-
tricyclo[3.3.1.1~3,7~]dec-1-yl]phenyl}carbonyl)amino]methyl}benzyl)butanoic acid
A2ZNN0.7
S44(2S)-2-(4-propoxy-3-{[({4-[(3S,5S,7S)-
tricyclo[3.3.1.1~3,7~]dec-1-yl]phenyl}carbonyl)amino]methyl}benzyl)butanoic acid
A,B2ZNO0.7
DK22-[(1R)-1-CARBOXY-2-(4-HYDROXYPHENYL)ETHYL]-
1,3-DIOXOISOINDOLINE-5-CARBOXYLIC ACID
A,B2PU20.71
D192,5-BIS{[4-(N-CYCLOPROPYLDIAMINOMETHYL)PHENYL]}FURANA289D0.72
MR0N~3~-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-
2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}-
N~1~,N~1~-DIPROPYLBENZENE-1,3,5-
TRICARBOXAMIDE
A,B,C2P830.72
BD23-[(4-HYDROXYBENZOYL)AMINO]AZEPAN-
4-YL 4-(2-HYDROXYBENZOYL)BENZOATE
A1RE80.71
NBF[(2-ETHOXY-1-NAPHTHOYL)AMINO]METHYLBORONIC ACIDA1NY00.74
NBF[(2-ETHOXY-1-NAPHTHOYL)AMINO]METHYLBORONIC ACIDA,B1YMS0.74
GGO(4R,5R)-5-AMINO-1-[2-(1,3-BENZODIOXOL-
5-YL)ETHYL]-4-(2,4,5-TRIFLUOROPHENYL)PIPERIDIN-
2-ONE
B2OQI0.72
HWGN-(TERT-BUTYL)-3,5-DIMETHYL-N'-
[(5-METHYL-2,3-DIHYDRO-1,4-BENZODIOXIN-
6-YL)CARBONYL]BENZOHYDRAZIDE
A,D1R200.75