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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01288420

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
D554-(2-aminoethoxy)-N-(2,5-diethoxyphenyl)-
3,5-dimethylbenzamide
A2VIQ0.75
RHQRHODAMINE 6GA,B,D,E1JUS0.71
RHQRHODAMINE 6GA,B,D,E3BR50.71
RHQRHODAMINE 6GA,D,E3BR60.71
RHQRHODAMINE 6GA,B3D6Z0.71
RHQRHODAMINE 6GA1OY80.71
RHQRHODAMINE 6GA1T9V0.71
FUN5-(AMINOSULFONYL)-4-CHLORO-2-[(2-
FURYLMETHYL)AMINO]BENZOIC ACID
A1Z9Y0.71
GWIN-({4-[({4-chloro-2-[(3-chloro-
5-cyanophenyl)carbonyl]phenoxy}acetyl)amino]-
3-methylphenyl}sulfonyl)propanamide
A3DOL0.72
GWJ2-{4-chloro-2-[(3-chloro-5-cyanophenyl)carbonyl]phenoxy}-
N-(2-methyl-4-sulfamoylphenyl)acetamide
A3DOK0.72
FL15-{[({2-[4-(AMINOSULFONYL)PHENYL]ETHYL}AMINO)CARBONOTHIOYL]AMINO}-
2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-
YL)BENZOIC ACID
A2F140.73
C7M(2S,3R)-N-[5-CHLORO-2-(2,3-DIHYDRO-
1H-TETRAZOL-1-YL)BENZYL]-3-HYDROXY-
4-{[(4-METHOXYPHENYL)SULFONYL]AMINO}-
1-PHENYLBUTAN-2-AMINIUM
B,I2C8W0.7
BRK{(2Z)-4-AMINO-2-[(4-METHOXYPHENYL)IMINO]-
2,3-DIHYDRO-1,3-THIAZOL-5-YL}(4-
METHOXYPHENYL)METHANONE
A2IZR0.79
380(2R)-2-({4-[AMINO(IMINO)METHYL]PHENYL}AMINO)-
N-BENZYL-2-(3,4-DIMETHOXYPHENYL)ACETAMIDE
H,L1W2K0.72
T1D5-(4-METHOXYBIPHENYL-3-YL)-1,2,5-
THIADIAZOLIDIN-3-ONE 1,1-DIOXIDE
A2BGD0.7
MBQ2-HYDROXY-5-({1-[(4-METHYLPHENOXY)METHYL]-
3-OXOPROP-1-ENYL}AMINO)-L-TYROSINE
A1SIH0.7
905(R)-4-[2-(3-AMINO-BENZENESULFONYLAMINO)-
1-(3,5-DIETHOXY-2-FLUOROPHENYL)-
2-OXO-ETHYLAMINO]-2-HYDROXY-BENZAMIDINE
H,L1YGC0.71
IC13-[(2,4,6-TRIMETHOXY-PHENYL)-METHYLENE]-
INDOLIN-2-ONE
A,B1EH40.72
ZY3N-{(1S,2R)-1-BENZYL-2-HYDROXY-3-
[(3-METHOXYBENZYL)AMINO]PROPYL}-
6-(ETHYLAMINO)-1-METHYL-1,3,4,5-
TETRAHYDRO-2,1-BENZOTHIAZEPINE-
8-CARBOXAMIDE 2,2-DIOXIDE
A2WF30.75
4BS4-amino-N-[4-(benzyloxy)phenyl]butanamideA3CHR0.72
F792-(2-AMINOETHOXY)-3-ETHYL-6-{[(4-
FLUOROPHENYL)SULFONYL]AMINO}BENZOIC ACID
A2EA40.72
MSI1-METHYL-5-(2-PHENOXYMETHYL-PYRROLIDINE-
1-SULFONYL)-1H-INDOLE-2,3-DIONE
A1GFW0.77
L1R4-(2-AMINOETHOXY)-3,5-DICHLORO-
N-[3-(1-METHYLETHOXY)PHENYL]BENZAMIDE
A2VIP0.71
ZY2N-{(1S,2R)-1-benzyl-2-hydroxy-3-
[(3-methoxybenzyl)amino]propyl}-
8-ethyl-1-methyl-3,4-dihydro-1H,8H-
[1,2,5]thiadiazepino[5,4,3-de]quinoxaline-
10-carboxamide 2,2-dioxide
A2WF20.71
L051-BENZYL-3-(4-METHOXYPHENYLAMINO)-
4-PHENYLPYRROLE-2,5-DIONE
A,B,C,D,E,F,
G,H
2ACL0.74
PI9A,B1D4L0.76
VG24-(2-aminoethoxy)-N-(3-chloro-5-
piperidin-1-ylphenyl)-3,5-dimethylbenzamide
A2VIV0.7
WAYN-HYDROXY-2-[(4-METHOXY-BENZENESULFONYL)-
PYRIDIN-3-YLMETHYL-AMINO]-3-METHYL-
BENZAMIDE
A1FLS0.74
WAYN-HYDROXY-2-[(4-METHOXY-BENZENESULFONYL)-
PYRIDIN-3-YLMETHYL-AMINO]-3-METHYL-
BENZAMIDE
A1FM10.74
033N-({4'-[(1-BENZOFURAN-2-YLCARBONYL)AMINO]-
1,1'-BIPHENYL-4-YL}SULFONYL)-L-
VALINE
A,B,C,D1ZTQ0.73
D272-{[(2E)-3-(3,4-dimethoxyphenyl)prop-
2-enoyl]amino}benzoic acid
A,B,C,D2VD00.73
LS53-{[4-([AMINO(IMINO)METHYL]AMINOSULFONYL)ANILINO]METHYLENE}-
2-OXO-2,3-DIHYDRO-1H-INDOLE
A1KE90.71
MUT(5S)-3-(3-ACETYLPHENYL)-N-[(1S,2R)-
1-BENZYL-2-HYDROXY-3-{ISOBUTYL[(4-
METHOXYPHENYL)SULFONYL]AMINO}PROPYL]-
2-OXO-1,3-OXAZOLIDINE-5-CARBOXAMIDE
A,B2I0D0.76
VR1(2S)-2-({(5Z)-5-[(5-ETHYL-2-FURYL)METHYLENE]-
4-OXO-4,5-DIHYDRO-1,3-THIAZOL-2-
YL}AMINO)-2-(4-FLUOROPHENYL)-N-
[(4-NITROPHENYL)SULFONYL]ACETAMIDE
A,B2O5D0.75
BSDN-{(1S,2R)-1-benzyl-2-hydroxy-3-
[(3-methoxybenzyl)amino]propyl}-
5-[methyl(methylsulfonyl)amino]-
N'-[(1R)-1-phenylethyl]benzene-
1,3-dicarboxamide
A,B,C,D2VKM0.74
MZ9N-[(1S,2R)-1-BENZYL-2-HYDROXY-3-
{[(4-METHOXYPHENYL)SULFONYL][(2S)-
2-METHYLBUTYL]AMINO}PROPYL]-4-OXOHEXANAMIDE
A,B2QI70.7
R2C5-METHOXY-2-[(4-PHENOXYPHENYL)AMINO]BENZOIC ACIDA2PRL0.71
MUI(5S)-3-(4-ACETYLPHENYL)-N-[(1S,2R)-
1-BENZYL-2-HYDROXY-3-{ISOBUTYL[(4-
METHOXYPHENYL)SULFONYL]AMINO}PROPYL]-
2-OXO-1,3-OXAZOLIDINE-5-CARBOXAMIDE
A,B2I0A0.75
886N-({4'-[(4-isobutyrylphenoxy)methyl]biphenyl-
4-yl}sulfonyl)-D-valine
A,B,C,D2RJP0.7