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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00034514

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
BDUME-A-9-N-(BIPHENYL-4-CARBONYL)-
AMINO-9-DEOXY-NEU5AC		A1ODA0.76
EB4N,N',N''-[(3S,7S,11S)-2,6,10-trioxo-
1,5,9-trioxacyclododecane-3,7,11-
triyl]tris(2,3-dihydroxybenzamide)		A,B,C3CMP0.7
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
CS7N'-[(1S,2R)-2-[(2R,4R)-4-(BENZYLOXY)PYRROLIDIN-
2-YL]-1-(3,5-DIFLUOROBENZYL)-2-
HYDROXYETHYL]-5-METHYL-N,N-DIPROPYLISOPHTHALAMIDE		A,B2QMD0.79
TXLTAXOTEREA,B,K1IA00.71
TXLTAXOTEREA,B1TUB0.71
C39N-[(2S,4S,5S,7R)-4-AMINO-8-(BUTYLAMINO)-
5-HYDROXY-7-METHYL-2-(1-METHYLETHYL)-
8-OXOOCTYL]-2-(3-METHOXYPROPOXY)BENZAMIDE		C,O2V120.72
L013-[({(1S,2R)-1-BENZYL-2-HYDROXY-
3-[(3-METHOXYBENZYL)AMINO]PROPYL}AMINO)(HYDROXY)METHYL]-
N,N-DIPROPYLBENZAMIDE		A1W510.72
186[1-(1-METHYL-4,5-DIOXO-PENT-2-ENYLCARBAMOYL)-
2-PHENYL-ETHYL]-CARBAMIC ACID BENZYL ESTER		X1U9Q0.73
F59N-[(biphenyl-4-ylcarbonyl)carbamoyl]-
beta-D-glucopyranosylamine		A2QLN0.74
BEDN,N-[2,5-O-DI-2-FLUORO-BENZYL-GLUCARYL]-
DI-[1-AMINO-INDAN-2-OL]		A1EC00.71
1BHN-BENZYLOXYCARBONYL-ALA-PRO-3-AMINO-
4-PHENYL-BUTAN-2-OL		A1BH60.7
COCCOCAINEA,C1I7Z0.71
COCCOCAINEH1Q720.71
COCCOCAINEL2AJV0.71
COCCOCAINEA,B,C,D,E2PGZ0.71
BZDA1K060.73
BZDA1K080.73
BZDA2QNB0.73
NM13-(7-BENZYL-4,5-DIHYDROXY-1,1-DIOXO-
3,6-BIS-PHENOXYMETHYL-1L6-[1,2,7]THIADIAZEPAN-
2-YLMETHYL)-N-METHYL-BENZAMIDE		B1G2K0.71
SUWME-A-9-N-(NAPHTHYL-2-CARBONYL)-
AMINO-9-DEOXY-NEU5AC		A1OD70.74
G6AN-cyclopropyl-2',6-dimethyl-4'-
(5-methyl-1,3,4-oxadiazol-2-yl)biphenyl-
3-carboxamide		A3E920.71
BD23-[(4-HYDROXYBENZOYL)AMINO]AZEPAN-
4-YL 4-(2-HYDROXYBENZOYL)BENZOATE		A1RE80.72
CS5N'-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-
2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}-
5-METHYL-N,N-DIPROPYLISOPHTHALAMIDE		A,B2QK50.7
BEBN,N-[2,5-O-DIBENZYL-GLUCARYL]-DI-
[1-AMINO-INDAN-2-OL]		B1EBY0.72
F68N-{[(4-methylphenyl)carbonyl]carbamoyl}-
beta-D-glucopyranosylamine		A2QLM0.74
NOLN-[(BENZYLOXY)CARBONYL]-O-(TERT-
BUTYL)-L-THREONYL-3-CYCLOHEXYL-
N-[(1S)-2-HYDROXY-1-{[(3S)-2-OXOPYRROLIDIN-
3-YL]METHYL}ETHYL]-L-ALANINAMIDE		A2GX40.71
BE5(2R,3R,4R,5R)-2,5-BIS[(2,3-DIFLUOROBENZYL)OXY]-
3,4-DIHYDROXY-N,N'-BIS[(1S,2R)-
2-HYDROXY-2,3-DIHYDRO-1H-INDEN-
1-YL]HEXANEDIAMIDE		A1W5X0.7
KI23-BENZYLOXYCARBONYLAMINO-2-HYDROXY-
4-PHENYL-BUTYRIC ACID		A,B,I,J1NH00.71
KI23-BENZYLOXYCARBONYLAMINO-2-HYDROXY-
4-PHENYL-BUTYRIC ACID		I1U8G0.71
OTGORTHO-TOLUOYLGLUCOSAMINEA2YHX0.77
BE4(2R,3R,4R,5R)-2,5-BIS[(2,4-DIFLUOROBENZYL)OXY]-
3,4-DIHYDROXY-N,N'-BIS[(1R,2S)-
2-HYDROXY-2,3-DIHYDRO-1H-INDEN-
1-YL]HEXANEDIAMIDE		A1W5W0.7
AI1N-BENZYL-3-(ALPHA-D-GALACTOS-1-
YL)-BENZAMIDE		D,E,F,G,H,L,
M,N,O,P		1FD70.72
BE6(2R,3R,4R,5R)-2,5-BIS[(2,5-DIFLUOROBENZYL)OXY]-
3,4-DIHYDROXY-N,N'-BIS[(1S,2R)-
2-HYDROXY-2,3-DIHYDRO-1H-INDEN-
1-YL]HEXANEDIAMIDE		A1W5Y0.7
TMSN-PROPYL-4-[(E)-2-(3,4,5-TRIMETHOXY-
PHENYL)-VINYL]-BENZAMIDE		A,B1X6W0.75
B1L3-[(4-HYDROXYBENZOYL)AMINO]AZEPAN-
4-YL 4-HYDROXYBENZOATE		A1REJ0.78
BFN5-(acetylamino)-2,6-anhydro-3,5,9-
trideoxy-3-fluoro-9-[(phenylcarbonyl)amino]-
D-arabino-L-galacto-nononic acid		A3B690.76
AG6N-[(benzyloxy)carbonyl]-L-alpha-
glutamyl-N-[(1S)-4-oxo-4-phenyl-
1-propylbut-2-en-1-yl]-L-phenylalaninamide		A3FRZ0.72
HOP(1S,2S,5S)2-(4-GLUTARIDYLBENZYL)-
5-PHENYL-1-CYCLOHEXANOL		H,L1D6V0.71
HOP(1S,2S,5S)2-(4-GLUTARIDYLBENZYL)-
5-PHENYL-1-CYCLOHEXANOL		A,B,H,L1AXS0.71
BEIN,N-[2,5-O-[DIBENZYL]-GLUCARYL]-
DI-[ISOLEUCYL-AMIDO-METHANE]		A1EBW0.72
0E3N-acetyl-L-valyl-O-benzyl-L-threonyl-
N-[(1R)-2-oxo-1-{[(3S)-2-oxopyrrolidin-
3-yl]methyl}propyl]-L-leucinamide		A2Z3C0.71
BEC[5-(2-HYDROXY-INDAN-1-YLCARBAMOYL)-
3,4-DIHYDROXY-2,5-[DIBENZYL-OXY]-
PENTANOYL]-VALINYL-AMIDO-METHANE		B1EBZ0.72
BEG2,5-DIBENZYLOXY-3-HYDROXY-HEXANEDIOIC ACID BIS-
[(2-HYDROXY-INDAN-1-YL)-AMIDE]		A1D4I0.73
C40N-[(2R,4S,5S,7R)-4-AMINO-8-(BUTYLAMINO)-
5-HYDROXY-2,7-DIMETHYL-8-OXOOCTYL]-
2-(3-METHOXYPROPOXY)BENZAMIDE		A2V130.73
BE3N,N-[2,5-O-DI-3-FLUORO-BENZYL-GLUCARYL]-
DI-[1-AMINO-INDAN-2-OL]		A1W5V0.71
BA1BALANOLA1BX60.7
77BBENZYL N-({(2S,3S)-3-[(BENZYLAMINO)CARBONYL]OXIRAN-
2-YL}CARBONYL)-L-ISOLEUCYL-L-PROLINATE		A2DCC0.74
NHNA,C2GVF0.71
RBE3-(BENZOYLOXY)-8-AZA-BICYCLO[3.2.1]OCTANE-
2-CARBOXYLIC ACID		H1RIU0.73
568N,N-[2,5-O-DIBENZYL-GLUCARYL]-DI-
[1-AMINO-INDAN-2-OL]		B1WBK0.75
0E2N-acetyl-L-valyl-O-benzyl-L-threonyl-
N-[(1R,2R)-2-hydroxy-1-{[(3R)-2-
oxopyrrolidin-3-yl]methyl}propyl]-
L-leucinamide		A2Z3C0.71
SC7N'-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-
2-[(2R,4S)-4-ETHOXYPIPERIDIN-2-
YL]-2-HYDROXYETHYL}-5-METHYL-N,N-
DIPROPYLISOPHTHALAMIDE		A,B2QP80.72
TA1TAXOLA,B1JFF0.72
TA1TAXOLA,B,C2HXH0.72
TA1TAXOLA,B,N3DCO0.72
TA1TAXOLA,B,K2P4N0.72
TA1TAXOLA,B,D,F,G3EDL0.72
TA1TAXOLA,B,C2HXF0.72
TA1TAXOLA,B,C2WBE0.72
HBZN-{[(4-hydroxyphenyl)carbonyl]carbamoyl}-
beta-D-glucopyranosylamine		A2QN70.71
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,B2QMG0.74
BEH2,5-DIBENZYLOXY-3,4-DIHYDROXY-HEXANEDIOIC ACID BENZYLAMIDE (2-
HYDROXY-INDAN-1-YL)-AMIDE		B1D4H0.73
BNDME-A-N-BENZOYL-AMINO-9-DEOXY-NEU5ACA1OD90.76
PH52-PHENYL-PROP5ACA,B2BVE0.75