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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00125066

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
EINA1ZS00.81
LK4N-({6-[(4-CYANOBENZYL)OXY]NAPHTHALEN-
2-YL}SULFONYL)-D-GLUTAMIC ACID
A2UUP0.77
LK4N-({6-[(4-CYANOBENZYL)OXY]NAPHTHALEN-
2-YL}SULFONYL)-D-GLUTAMIC ACID
A2VTE0.77
FINA1ZVX0.81
LK1N-[(6-BUTOXYNAPHTHALEN-2-YL)SULFONYL]-
L-GLUTAMIC ACID
A2JFH0.82
C3D(5R,6S)-6-PHENYL-5-[4-(2-PYRROLIDIN-
1-YLETHOXY)PHENYL]-5,6,7,8-TETRAHYDRONAPHTHALEN-
2-OL
A2OUZ0.71
SFX(3S)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-
1-amine
A3GWW0.72
RFX(3R)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-
1-amine
A3GWV0.72
XX62-{[(2R)-2-HYDROXY-3-(9-PHENANTHRYLOXY)PROPYL]AMINO}PROPANE-
1,3-DIOL
A2V3I0.7
XX72-{[(2S)-2-HYDROXY-3-(9-PHENANTHRYLOXY)PROPYL]AMINO}PROPANE-
1,3-DIOL
A2V3R0.7
L4G6-(4-METHYLSULFONYL-PHENYL)-5-[4-
(2-PIPERIDIN-1-YLETHOXY)PHENOXY]NAPHTHALEN-
2-OL
A2AYR0.73
MZ9N-[(1S,2R)-1-BENZYL-2-HYDROXY-3-
{[(4-METHOXYPHENYL)SULFONYL][(2S)-
2-METHYLBUTYL]AMINO}PROPYL]-4-OXOHEXANAMIDE
A,B2QI70.71
ZHH2-(4-METHOXYPHENYL)ETHANAMINED,H2HKR0.71
MBSA,B1HY70.79
BZNN-({(3R,4R)-4-[(benzyloxy)methyl]pyrrolidin-
3-yl}methyl)-N-(2-methylpropyl)benzenesulfonamide
B3BHE0.72
C5MN-{(2R,3S)-3-[(3-CHLOROBENZYL)AMINO]-
2-HYDROXY-4-PHENYLBUTYL}-4-METHOXY-
2,3,6-TRIMETHYLBENZENESULFONAMIDE
B,I2C8X0.71
LKMN-({6-[(4-CYANO-2-FLUOROBENZYL)OXY]NAPHTHALEN-
2-YL}SULFONYL)-D-GLUTAMIC ACID
A2VTD0.75
C4MN-[(2R,3S)-3-AMINO-2-HYDROXY-4-
PHENYLBUTYL]-4-METHOXY-2,3,6-TRIMETHYLBENZENESULFONAMIDE
B,I2C930.82
LK3N-{[6-(PENTYLOXY)NAPHTHALEN-2-YL]SULFONYL}-
D-GLUTAMIC ACID
A2UUO0.82
C3MN-[(2R,3S)-3-AMINO-2-HYDROXY-4-
PHENYLBUTYL]NAPHTHALENE-2-SULFONAMIDE
B,I2C8Y0.7
CTX(Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)-
PHENOXY]-N,N-DIMETHYLETHANAMINE
A,B,C1YA40.7
SNP1-(ISOPROPYLAMINO)-3-(1-NAPHTHYLOXY)-
2-PROPANOL
A1DY40.74
HBH2-[(8S,11S)-11-{(1R)-1-HYDROXY-
2-[ISOPENTYL(PHENYLSULFONYL)AMINO]ETHYL}-
6,9-DIOXO-2-OXA-7,10-DIAZABICYCLO[11.2.2]HEPTADECA-
1(15),13,16-TRIEN-8-YL]ACETAMIDE
A,B1Z1R0.7
AL9N-[(4-METHOXYPHENYL)METHYL]2,5-
THIOPHENEDESULFONAMIDE
A1BN40.74
886N-({4'-[(4-isobutyrylphenoxy)methyl]biphenyl-
4-yl}sulfonyl)-D-valine
A,B,C,D2RJP0.73
189N-BENZYL-2-(2,6-DIMETHYLPHENOXY)-
N-[((3R,4S)-4-{[ISOBUTYL(PHENYLSULFONYL)AMINO]METHYL}PYRROLIDIN-
3-YL)METHYL]ACETAMIDE
A,B1XL20.72
MUUN-[(1S,2R)-1-BENZYL-3-{(CYCLOPROPYLMETHYL)[(3-
METHOXYPHENYL)SULFONYL]AMINO}-2-
HYDROXYPROPYL]-N'-METHYLSUCCINAMIDE
A,B2PSU0.72
TAX(Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)-
PHENOXY]-N,N-DIMETHYLETHANAMINIUM
A1FJ50.73
HBBN-{(2R)-2-HYDROXY-2-[(8S,11S)-8-
ISOPROPYL-6,9-DIOXO-2-OXA-7,10-
DIAZABICYCLO[11.2.2]HEPTADECA-1(15),13,16-
TRIEN-11-YL]ETHYL}-N-ISOPENTYLBENZENESULFONAMIDE
A,B1Z1H0.72
LZ25-hydroxynaphthalene-1-sulfonamideA2VTH0.72
LK2N-[(6-BUTOXYNAPHTHALEN-2-YL)SULFONYL]-
D-GLUTAMIC ACID
A2JFF0.82