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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01066054

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
DBON-{(1S,2R)-1-BENZYL-2-HYDROXY-3-
[(3-METHYLBENZYL)AMINO]PROPYL}DIBENZO[B,F]OXEPINE-
10-CARBOXAMIDE
A,B,C,D2EWY0.73
R364-AMINO-N-{4-[2-(2,6-DIMETHYL-PHENOXY)-
ACETYLAMINO]-3-HYDROXY-1-ISOBUTYL-
5-PHENYL-PENTYL}-BENZAMIDE
A1LEE0.72
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
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,B2QMG0.76
NBF[(2-ETHOXY-1-NAPHTHOYL)AMINO]METHYLBORONIC ACIDA1NY00.71
NBF[(2-ETHOXY-1-NAPHTHOYL)AMINO]METHYLBORONIC ACIDA,B1YMS0.71
CS5N'-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-
2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}-
5-METHYL-N,N-DIPROPYLISOPHTHALAMIDE
A,B2QK50.75
NODN-ETHYLHYDROXY-DOXORUBICINA385D0.72
CS7N'-[(1S,2R)-2-[(2R,4R)-4-(BENZYLOXY)PYRROLIDIN-
2-YL]-1-(3,5-DIFLUOROBENZYL)-2-
HYDROXYETHYL]-5-METHYL-N,N-DIPROPYLISOPHTHALAMIDE
A,B2QMD0.71
B8L3-[(3-SEC-BUTYL-4-HYDROXYBENZOYL)AMINO]AZEPAN-
4-YL 4-(2-HYDROXY-5-METHOXYBENZOYL)BENZOATE
A1REK0.73
L013-[({(1S,2R)-1-BENZYL-2-HYDROXY-
3-[(3-METHOXYBENZYL)AMINO]PROPYL}AMINO)(HYDROXY)METHYL]-
N,N-DIPROPYLBENZAMIDE
A1W510.73
ADF4-{[(2R,5S)-5-{[(2S)-2-(AMINOMETHYL)PYRROLIDIN-
1-YL]CARBONYL}PYRROLIDIN-2-YL]METHOXY}-
3-TERT-BUTYLBENZOIC ACID
A2G5P0.71
MFNN-[4,5,7-TRICARBOXYHEPTANOYL]-L-
GAMMA-GLUTAMYL-N-{2-[4-({5-[(FORMYLAMINO)METHYL]-
3-FURYL}METHOXY)PHENYL]ETHYL}-D-
GLUTAMINE
A,B,C,D2FHK0.75
MFNN-[4,5,7-TRICARBOXYHEPTANOYL]-L-
GAMMA-GLUTAMYL-N-{2-[4-({5-[(FORMYLAMINO)METHYL]-
3-FURYL}METHOXY)PHENYL]ETHYL}-D-
GLUTAMINE
A,B,C,D2FHJ0.75
C39N-[(2S,4S,5S,7R)-4-AMINO-8-(BUTYLAMINO)-
5-HYDROXY-7-METHYL-2-(1-METHYLETHYL)-
8-OXOOCTYL]-2-(3-METHOXYPROPOXY)BENZAMIDE
C,O2V120.73
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,B1D4K0.74
006(4R)-3-[(2S,3S)-3-{[(2,6-dimethylphenoxy)acetyl]amino}-
2-hydroxy-4-phenylbutanoyl]-N-[(1S,2R)-
2-hydroxy-2,3-dihydro-1H-inden-
1-yl]-5,5-dimethyl-1,3-thiazolidine-
4-carboxamide
A,B,C,D3FNU0.71
AP1{3-[3-(3,4-DIMETHOXY-PHENYL)-1-
(1-{1-[2-(3,4,5-TRIMETHOXY-PHENYL)-
BUTYRYL]-PIPERIDIN-2YL}-VINYLOXY)-
PROPYL]-PHENOXY}-ACETIC ACID
A,B1BL40.72
32P3-{2-[(5-AMINOPENTYL)AMINO]-2-OXOETHOXY}-
5-({[1-(4-FLUOROPHENYL)ETHYL]AMINO}CARBONYL)PHENYL PHENYLMETHANESULFONATE
A1TQF0.74
DEOA,B1ROS0.72
CS9N'-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-
2-HYDROXY-2-[(2R,4R)-4-PHENOXYPYRROLIDIN-
2-YL]ETHYL}-5-METHYL-N,N-DIPROPYLISOPHTHALAMIDE
A,B2QMF0.77
NLX(5A,17R)-4,5-EPOXY-3,14-DIHYDROXY-
17-METHYL-6-OXO-17-(2-PROPENYL)-
MORPHINANIUM
A,B,C,D,E,F,
G,H,I,J,K,L
1MX90.72
2FF(5-(aminomethyl)-2H-spiro[benzofuran-
3,4'-piperidine]-1'-yl)(5-(phenylethynyl)furan-
2-yl)methanone
A,B,C,D2ZA50.78
NCGA1MP70.71
BDA4-METHYLBENZYL-N-BIS[DAUNOMYCIN]A1AL90.74
BDA4-METHYLBENZYL-N-BIS[DAUNOMYCIN]A1AGL0.74
5616-HYDROXY-3-{(4R)-1-[4-(1-NAPHTHYLAMINO)-
4-OXOBUTYL]-1,2,3-TRIAZOLIDIN-4-
YL}-1-BENZOFURAN-5-CARBOXYLIC ACID
A,B2QCT0.7
NM13-(7-BENZYL-4,5-DIHYDROXY-1,1-DIOXO-
3,6-BIS-PHENOXYMETHYL-1L6-[1,2,7]THIADIAZEPAN-
2-YLMETHYL)-N-METHYL-BENZAMIDE
B1G2K0.73
C01(2S)-(4-ISOPROPYLPHENYL)[(2-METHYL-
3-OXO-5,7-DIPROPYL-2,3-DIHYDRO-
1,2-BENZISOXAZOL-6-YL)OXY]ACETATE
A1ZEO0.7
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,C2P830.74
R373-AMINO-N-{4-[2-(2,6-DIMETHYL-PHENOXY)-
ACETYLAMINO]-3-HYDROXY-1-ISOBUTYL-
5-PHENYL-PENTYL}-BENZAMIDE
A1LF20.72
033N-({4'-[(1-BENZOFURAN-2-YLCARBONYL)AMINO]-
1,1'-BIPHENYL-4-YL}SULFONYL)-L-
VALINE
A,B,C,D1ZTQ0.73
BNRBIS-DAUNORUBICINB1AMD0.75
K55(2S)-2-{4-butoxy-3-[({[2-fluoro-
4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]benzyl}butanoic acid
A,B2ZNP0.71
TMSN-PROPYL-4-[(E)-2-(3,4,5-TRIMETHOXY-
PHENYL)-VINYL]-BENZAMIDE
A,B1X6W0.7
C40N-[(2R,4S,5S,7R)-4-AMINO-8-(BUTYLAMINO)-
5-HYDROXY-2,7-DIMETHYL-8-OXOOCTYL]-
2-(3-METHOXYPROPOXY)BENZAMIDE
A2V130.72
FLQN-[6-(ACETYLAMINO)HEXYL]-3',6'-
DIHYDROXY-3-OXO-3H-SPIRO[2-BENZOFURAN-
1,9'-XANTHENE]-6-CARBOXAMIDE
C2FDC0.82
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
A1LF30.73
NOVNOVOBIOCINA,B1KIJ0.73
NOVNOVOBIOCINA,B1S140.73
NOVNOVOBIOCINA1AJ60.73
AI1N-BENZYL-3-(ALPHA-D-GALACTOS-1-
YL)-BENZAMIDE
D,E,F,G,H,L,
M,N,O,P
1FD70.73
BA1BALANOLA1BX60.72