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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00947961

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
GVB(3R,4S)-1-(3,4-DIMETHOXYPHENYL)-
3-(3-METHYLPHENYL)PIPERIDIN-4-AMINE
A,B2JID0.71
DPAA,B1PIK0.7
MZ3N-[(1S,2R)-1-BENZYL-2-HYDROXY-3-
{[(3-METHOXYPHENYL)SULFONYL](2-
THIENYLMETHYL)AMINO}PROPYL]-3-FLUORO-
2-METHYLBENZAMIDE
A,B2QI00.71
ILFA2FPY0.73
AXA(5S)-5-(2-amino-2-oxoethyl)-4-oxo-
N-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-
6-yl)methyl]-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-
d]pyrimidine-2-carboxamide
A,B3DNG0.72
B98(3R)-3-(aminomethyl)-9-methoxy-
1,2,3,4-tetrahydro-5H-[1]benzothieno[3,2-
e][1,4]diazepin-5-one
A3FZ10.76
B98(3R)-3-(aminomethyl)-9-methoxy-
1,2,3,4-tetrahydro-5H-[1]benzothieno[3,2-
e][1,4]diazepin-5-one
X3FYK0.76
D554-(2-aminoethoxy)-N-(2,5-diethoxyphenyl)-
3,5-dimethylbenzamide
A2VIQ0.7
CYF5-[2-(2-AMINO-2-CARBAMOYL-ETHYLSULFANYL)-
ACETYLAMINO]-2-(3,6-DIHYDROXY-9,9A-
DIHYDRO-3H-XANTHEN-9-YL)-BENZOIC ACID
L,P1MPA0.71
CYF5-[2-(2-AMINO-2-CARBAMOYL-ETHYLSULFANYL)-
ACETYLAMINO]-2-(3,6-DIHYDROXY-9,9A-
DIHYDRO-3H-XANTHEN-9-YL)-BENZOIC ACID
L,P2MPA0.71
CYF5-[2-(2-AMINO-2-CARBAMOYL-ETHYLSULFANYL)-
ACETYLAMINO]-2-(3,6-DIHYDROXY-9,9A-
DIHYDRO-3H-XANTHEN-9-YL)-BENZOIC ACID
I,L1DZH0.71
RXDN-[3-(2-fluoroethoxy)phenyl]-N'-
(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-
6-yl)butanediamide
A,B,C,D3DEK0.72
D272-{[(2E)-3-(3,4-dimethoxyphenyl)prop-
2-enoyl]amino}benzoic acid
A,B,C,D2VD00.7
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,D2VKM0.7
11M1-(1'-{[3-(methylsulfanyl)-2-benzothiophen-
1-yl]carbonyl}spiro[1-benzofuran-
3,4'-piperidin]-5-yl)methanamine
A,B,C,D2ZEB0.72
J12N-{3-[4-(3-AMINO-PROPYL)-PIPERAZIN-
1-YL]-PROPYL}-3-(2-THIOPHEN-2-YL-
ACETYLAMINO)-5-(3,4,5-TRIHYDROXY-
6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-
2-YLOXY)-BENZAMIDE
D,E,F,G,H1PZK0.77
PZD(11aS)-7,8-dimethoxy-2-naphthalen-
2-yl-1,10,11,11a-tetrahydro-5H-
pyrrolo[2,1-c][1,4]benzodiazepin-
5-one
A,B2K4L0.77
EMD5-[1-(3,4-DIMETHOXY-BENZOYL)-1,2,3,4-
TETRAHYDRO-QUINOLIN-6-YL]-6-METHYL-
3,6-DIHYDRO-[1,3,4]THIADIAZIN-2-
ONE
A1IH00.78
VG4N-[(1S,2R)-1-benzyl-3-{[(1S)-2-
(cyclohexylamino)-1-methyl-2-oxoethyl]amino}-
2-hydroxypropyl]-3-(2-oxo-2,3-dihydro-
1H-pyrrol-1-yl)-5-propoxybenzamide
A2VIZ0.7
ILCA2FPV0.76
MZ4N-[(1S,2R)-1-BENZYL-2-HYDROXY-3-
{[(3-METHOXYPHENYL)SULFONYL](2-
THIENYLMETHYL)AMINO}PROPYL]-3,4-
DIHYDROXYBENZAMIDE
A,B2QI10.75
R6GRHODAMINE 6GB2V3L0.72
380(2R)-2-({4-[AMINO(IMINO)METHYL]PHENYL}AMINO)-
N-BENZYL-2-(3,4-DIMETHOXYPHENYL)ACETAMIDE
H,L1W2K0.71