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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01200912

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
0E2N-acetyl-L-valyl-O-benzyl-L-threonyl-
N-[(1R,2R)-2-hydroxy-1-{[(3R)-2-
oxopyrrolidin-3-yl]methyl}propyl]-
L-leucinamide
A2Z3C0.73
CY9(3S,3aR,4S,6S,6aR,7E,10S,12R,13E,15R,15aR)-
3-benzyl-6,12-dihydroxy-4,10,12-
trimethyl-5-methylidene-1,11-dioxo-
2,3,3a,4,5,6,6a,9,10,11,12,15-dodecahydro-
1H-cycloundeca[d]isoindol-15-yl acetate
A3EKU0.7
CY9(3S,3aR,4S,6S,6aR,7E,10S,12R,13E,15R,15aR)-
3-benzyl-6,12-dihydroxy-4,10,12-
trimethyl-5-methylidene-1,11-dioxo-
2,3,3a,4,5,6,6a,9,10,11,12,15-dodecahydro-
1H-cycloundeca[d]isoindol-15-yl acetate
A3EKS0.7
MSC2,5-DIBENZYLOXY-3,4-DIHYDROXY-HEXANEDIOIC ACID 2-
CHLORO-6-FLUORO-BENZYLAMIDE (2-
HYDROXY-INDAN-1- YL)-AMIDE
B1D4J0.79
629[2-AMINO-3-(4-HYDROXY-PHENYL)-PROPIONYLAMINO]-
(1,3,4,5-TETRAHYDROXY-4-HYDROXYMETHYL-
PIPERIDIN-2-YL)- ACETIC ACID
A1JIJ0.7
568N,N-[2,5-O-DIBENZYL-GLUCARYL]-DI-
[1-AMINO-INDAN-2-OL]
B1WBK0.76
ESYbenzyl N-[(benzyloxy)carbonyl]-
L-alanyl-N~6~-[(2R,3S,4S)-3-formyl-
2-hydroxy-4-methylhexanoyl]-L-lysinate
K,Y3E470.7
BEBN,N-[2,5-O-DIBENZYL-GLUCARYL]-DI-
[1-AMINO-INDAN-2-OL]
B1EBY0.74
485[2-AMINO-3-(4-HYDROXY-PHENYL)-PROPIONYLAMINO]-
(3,4,5-TRIHYDROXY-6-METHYL-TETRAHYDRO-
PYRAN-2-YL)- ACETIC ACID
A1JIL0.73
BEIN,N-[2,5-O-[DIBENZYL]-GLUCARYL]-
DI-[ISOLEUCYL-AMIDO-METHANE]
A1EBW0.81
PH52-PHENYL-PROP5ACA,B2BVE0.82
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
A1W5X0.72
545[2-AMINO-3-(4-HYDROXY-PHENYL)-PROPIONYLAMINO]-
(1,3,4,5-TETRAHYDROXY-4-HYDROXYMETHYL-
PIPERIDIN-2-YL)- ACETIC ACID BUTYL ESTER
A1JIK0.73
72X(3R)-3-[(1S)-1-(3-chlorophenyl)-
1-hydroxy-5-methoxypentyl]-N-{(1S)-
2-cyclohexyl-1-[(methylamino)methyl]ethyl}piperidine-
1-carboxamide
A,B3GW50.71
BE3N,N-[2,5-O-DI-3-FLUORO-BENZYL-GLUCARYL]-
DI-[1-AMINO-INDAN-2-OL]
A1W5V0.72
F55N-{[(4-chlorophenyl)carbonyl]carbamoyl}-
beta-D-glucopyranosylamine
A2QN30.7
BEDN,N-[2,5-O-DI-2-FLUORO-BENZYL-GLUCARYL]-
DI-[1-AMINO-INDAN-2-OL]
A1EC00.72
BFN5-(acetylamino)-2,6-anhydro-3,5,9-
trideoxy-3-fluoro-9-[(phenylcarbonyl)amino]-
D-arabino-L-galacto-nononic acid
A3B690.71
FKABENZYL-CARBAMIC ACID [8-DEETHYL-
ASCOMYCIN-8-YL]ETHYL ESTER
B1A7X0.71
SBACARBOBENZYLOXY-(L)-LEUCINYL-(L)LEUCINYL METHOXYMETHYLKETONEA1BQI0.73
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
A1W5Y0.72
BEG2,5-DIBENZYLOXY-3-HYDROXY-HEXANEDIOIC ACID BIS-
[(2-HYDROXY-INDAN-1-YL)-AMIDE]
A1D4I0.75
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
A1W5W0.72
KI23-BENZYLOXYCARBONYLAMINO-2-HYDROXY-
4-PHENYL-BUTYRIC ACID
A,B,I,J1NH00.75
KI23-BENZYLOXYCARBONYLAMINO-2-HYDROXY-
4-PHENYL-BUTYRIC ACID
I1U8G0.75
NOLN-[(BENZYLOXY)CARBONYL]-O-(TERT-
BUTYL)-L-THREONYL-3-CYCLOHEXYL-
N-[(1S)-2-HYDROXY-1-{[(3S)-2-OXOPYRROLIDIN-
3-YL]METHYL}ETHYL]-L-ALANINAMIDE
A2GX40.72
MUS4-METHYL-2-OXO-2H-CHROMEN-7-YL 5-
(ACETYLAMINO)-3,5-DIDEOXY-L-ERYTHRO-
NON-2-ULOPYRANOSIDONIC ACID
A1S0J0.71
BEC[5-(2-HYDROXY-INDAN-1-YLCARBAMOYL)-
3,4-DIHYDROXY-2,5-[DIBENZYL-OXY]-
PENTANOYL]-VALINYL-AMIDO-METHANE
B1EBZ0.75
BEH2,5-DIBENZYLOXY-3,4-DIHYDROXY-HEXANEDIOIC ACID BENZYLAMIDE (2-
HYDROXY-INDAN-1-YL)-AMIDE
B1D4H0.75
WR1NALPHA-[(BENZYLOXY)CARBONYL]-N-
[(1R)-4-HYDROXY-1-METHYL-2-OXOBUTYL]-
L-PHENYLALANINAMIDE
A,B2OP90.7
BO9N1-[(1R)-1-(DIHYDROXYBORYL)ETHYL]-
N2-[(TERT-BUTOXYCARBONYL)-D-GAMMA-
GLUTAMYL]-N6-[(BENZYLOXY)CARBONYL-
L-LYSINAMIDE
A1Z6F0.7
M18{(2S)-1-[N-(tert-butoxycarbonyl)glycyl]pyrrolidin-
2-yl}methyl (3-chlorophenyl)acetate
H,I3EGK0.71
BNDME-A-N-BENZOYL-AMINO-9-DEOXY-NEU5ACA1OD90.71