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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01998389

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
GNQN-[(1R)-1-[(BENZYLSULFONYL)METHYL]-
2-{[(1S)-1-METHYL-2-{[4-(TRIFLUOROMETHOXY)PHENYL]AMINO}ETHYL]AMINO}-
2-OXOETHYL]MORPHOLINE-4-CARBOXAMIDE
A,B2HHN0.82
GNQN-[(1R)-1-[(BENZYLSULFONYL)METHYL]-
2-{[(1S)-1-METHYL-2-{[4-(TRIFLUOROMETHOXY)PHENYL]AMINO}ETHYL]AMINO}-
2-OXOETHYL]MORPHOLINE-4-CARBOXAMIDE
A,B2HH50.82
PI9A,B1D4L0.7
4BO(3S)-3-amino-4-oxo-4-[(4-phenylmethoxyphenyl)amino]butanoic acidA3CHP0.76
N4EN-(4-ethoxyphenyl)acetamideA,B,C,D3EBS0.81
4BQ(2S)-2-amino-5-oxo-5-[(4-phenylmethoxyphenyl)amino]pentanoic acidA3CHQ0.74
ABYN-(4-AMINOBUTANOYL)-S-(4-METHOXYBENZYL)-
L-CYSTEINYLGLYCINE
A,B1PL20.71
ABYN-(4-AMINOBUTANOYL)-S-(4-METHOXYBENZYL)-
L-CYSTEINYLGLYCINE
A,B1PL10.71
T1D5-(4-METHOXYBIPHENYL-3-YL)-1,2,5-
THIADIAZOLIDIN-3-ONE 1,1-DIOXIDE
A2BGD0.7
PZ1(6R)-6-({[1-(3-HYDROXYPROPYL)-1,7-
DIHYDROQUINOLIN-7-YL]OXY}METHYL)-
1-(4-{3-[(2-METHOXYBENZYL)OXY]PROPOXY}PHENYL)PIPERAZIN-
2-ONE
B2FS40.74
PZ1(6R)-6-({[1-(3-HYDROXYPROPYL)-1,7-
DIHYDROQUINOLIN-7-YL]OXY}METHYL)-
1-(4-{3-[(2-METHOXYBENZYL)OXY]PROPOXY}PHENYL)PIPERAZIN-
2-ONE
A2BKS0.74
RPF1-{4-[3-(2-METHOXY-BENZYLOXY)-PROPOXY]-
PHENYL}-6-(1,2,,3,4-TETRAHYDRO-
QUINOLIN-7-YLOXYMETHYL)-PIPERAZIN-
2-ONE
A,B2BKT0.73
IH6(3S)-4-{[4-(BUT-2-YNYLOXY)PHENYL]SULFONYL}-
N-HYDROXY-2,2-DIMETHYLTHIOMORPHOLINE-
3-CARBOXAMIDE
A,B1ZXC0.73
4NH4-({4-[(4-AMINOBUT-2-YNYL)OXY]PHENYL}SULFONYL)-
N-HYDROXY-2,2-DIMETHYLTHIOMORPHOLINE-
3-CARBOXAMIDE
A,B2A8H0.72
HBY(S)-4-ISOPROPOXYCARBONYL-6-METHOXY-
3-METHYLTHIOMETHYL-3,4-DIHYDROQUINOXALIN-
2(1H)-THIONE
A2IC30.8
HBY(S)-4-ISOPROPOXYCARBONYL-6-METHOXY-
3-METHYLTHIOMETHYL-3,4-DIHYDROQUINOXALIN-
2(1H)-THIONE
A1BQM0.8
HBY(S)-4-ISOPROPOXYCARBONYL-6-METHOXY-
3-METHYLTHIOMETHYL-3,4-DIHYDROQUINOXALIN-
2(1H)-THIONE
A1BQN0.8
HBY(S)-4-ISOPROPOXYCARBONYL-6-METHOXY-
3-METHYLTHIOMETHYL-3,4-DIHYDROQUINOXALIN-
2(1H)-THIONE
A1HQU0.8
4BU(2S)-2-amino-5-[[4-[(2S)-2-hydroxy-
2-phenyl-ethoxy]phenyl]amino]-5-
oxo-pentanoic acid
A3CHS0.71
012(4S)-N-[(1S,2R)-1-benzyl-3-{[3-
(dimethylamino)benzyl]amino}-2-
hydroxypropyl]-1-(3-methoxybenzyl)-
2-oxoimidazolidine-4-carboxamide
A,B,C3CKP0.7
4BGN-[4-(benzyloxy)phenyl]glycinamideA3CHO0.79
L051-BENZYL-3-(4-METHOXYPHENYLAMINO)-
4-PHENYLPYRROLE-2,5-DIONE
A,B,C,D,E,F,
G,H
2ACL0.77
451N-(6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin-
2-yl)acetamide
A3FYX0.77
4BS4-amino-N-[4-(benzyloxy)phenyl]butanamideA3CHR0.79
F1IN-[1-(2,6-dimethoxybenzyl)piperidin-
4-yl]-4-sulfanylbutanamide
A2ZJI0.7
EPY1-HYDROXY-2-S-GLUTATHIONYL-3-PARA-
NITROPHENOXY-PROPANE
A,B,C,D1C720.78