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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00068158

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
1615-[4-(1-CARBOXYMETHYL-2-OXO-PROPYLCARBAMOYL)-
BENZYLSULFAMOYL]-2-HYDROXY-BENZOIC ACID
A,B1NMS0.72
LK3N-{[6-(PENTYLOXY)NAPHTHALEN-2-YL]SULFONYL}-
D-GLUTAMIC ACID
A2UUO0.74
VXXVANILLATEA,B1WB60.72
TMSN-PROPYL-4-[(E)-2-(3,4,5-TRIMETHOXY-
PHENYL)-VINYL]-BENZAMIDE
A,B1X6W0.71
MTJN,O-DIMETHYL-L-TYROSINEA,B1ATL0.7
886N-({4'-[(4-isobutyrylphenoxy)methyl]biphenyl-
4-yl}sulfonyl)-D-valine
A,B,C,D2RJP0.79
MPB4-HYDROXY-BENZOIC ACID METHYL ESTERB,C,D2VK00.74
MPB4-HYDROXY-BENZOIC ACID METHYL ESTERA,B,D3MTH0.74
VNL4-HYDROXY-3-METHOXYBENZOATEA,B,C,D2AHC0.7
VNL4-HYDROXY-3-METHOXYBENZOATEA1XLR0.7
ANN4-METHOXYBENZOIC ACIDA2B960.77
ANN4-METHOXYBENZOIC ACIDA2QUE0.77
ANN4-METHOXYBENZOIC ACIDA1SV30.77
ANN4-METHOXYBENZOIC ACIDA1O2E0.77
ANN4-METHOXYBENZOIC ACIDA,B,C,D3CBI0.77
TBLN-[(4-methoxyphenyl)sulfonyl]-D-
alanine
A3EHY0.71
LK2N-[(6-BUTOXYNAPHTHALEN-2-YL)SULFONYL]-
D-GLUTAMIC ACID
A2JFF0.74
3MB3-METHOXYBENZAMIDEA3PAX0.72
MBSA,B1HY70.75
B1L3-[(4-HYDROXYBENZOYL)AMINO]AZEPAN-
4-YL 4-HYDROXYBENZOATE
A1REJ0.7
LK1N-[(6-BUTOXYNAPHTHALEN-2-YL)SULFONYL]-
L-GLUTAMIC ACID
A2JFH0.74
296(3R)-3-amino-2,2-difluoro-3-(4-
methoxyphenyl)propanoic acid
A,B2RJS0.73
T333,3'-DEIODO-THYROXINEA,B1THA0.7
A415-METHYL-2-[(PHENYLSULFONYL)AMINO]BENZOIC ACIDA1YW70.7
K55(2S)-2-{4-butoxy-3-[({[2-fluoro-
4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]benzyl}butanoic acid
A,B2ZNP0.71
1592-HYDROXY-5-(2-MERCAPTO-ETHYLSULFAMOYL)-
BENZOIC ACID
A,B1NME0.74
AGGTIROFIBANA,B2VDM0.71
F792-(2-AMINOETHOXY)-3-ETHYL-6-{[(4-
FLUOROPHENYL)SULFONYL]AMINO}BENZOIC ACID
A2EA40.71
AL9N-[(4-METHOXYPHENYL)METHYL]2,5-
THIOPHENEDESULFONAMIDE
A1BN40.7
HV71-METHYLAMINE-2-HYDROXY-4-METHOXY-
BENZENE
C1A8G0.7
BVL(2E)-1-[2-hydroxy-4-methoxy-5-(3-
methylbut-2-en-1-yl)phenyl]-3-(4-
hydroxyphenyl)prop-2-en-1-one
A2ZBH0.7
MZ9N-[(1S,2R)-1-BENZYL-2-HYDROXY-3-
{[(4-METHOXYPHENYL)SULFONYL][(2S)-
2-METHYLBUTYL]AMINO}PROPYL]-4-OXOHEXANAMIDE
A,B2QI70.7
401(2S)-2-{3-[({[2-fluoro-4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]-
4-methoxybenzyl}butanoic acid
A,B2ZNQ0.73