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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00909541

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
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,B2K4L0.71
4BS4-amino-N-[4-(benzyloxy)phenyl]butanamideA3CHR0.73
NN33-{ISOPROPYL[(TRANS-4-METHYLCYCLOHEXYL)CARBONYL]AMINO}-
5-PHENYLTHIOPHENE-2-CARBOXYLIC ACID
A,B2GIR0.71
35B4-bromo-3-(carboxymethoxy)-5-{3-
[cyclohexyl(methylcarbamoyl)amino]phenyl}thiophene-
2-carboxylic acid
A2ZMM0.7
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,H1PZK0.71
4B34-BROMO-3-(CARBOXYMETHOXY)-5-{3-
[(3,3,5,5-TETRAMETHYLCYCLOHEXYL)AMINO]PHENYL}THIOPHENE-
2-CARBOXYLIC ACID
A2QBQ0.71
B98(3R)-3-(aminomethyl)-9-methoxy-
1,2,3,4-tetrahydro-5H-[1]benzothieno[3,2-
e][1,4]diazepin-5-one
A3FZ10.8
B98(3R)-3-(aminomethyl)-9-methoxy-
1,2,3,4-tetrahydro-5H-[1]benzothieno[3,2-
e][1,4]diazepin-5-one
X3FYK0.8
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,B3DNG0.73
9105-[3-(BENZYLAMINO)PHENYL]-4-BROMO-
3-(CARBOXYMETHOXY)THIOPHENE-2-CARBOXYLIC ACID
A2QBR0.72
ILCA2FPV0.78
MZ3N-[(1S,2R)-1-BENZYL-2-HYDROXY-3-
{[(3-METHOXYPHENYL)SULFONYL](2-
THIENYLMETHYL)AMINO}PROPYL]-3-FLUORO-
2-METHYLBENZAMIDE
A,B2QI00.71
R2C5-METHOXY-2-[(4-PHENOXYPHENYL)AMINO]BENZOIC ACIDA2PRL0.72
ILFA2FPY0.75
L051-BENZYL-3-(4-METHOXYPHENYLAMINO)-
4-PHENYLPYRROLE-2,5-DIONE
A,B,C,D,E,F,
G,H
2ACL0.76
D554-(2-aminoethoxy)-N-(2,5-diethoxyphenyl)-
3,5-dimethylbenzamide
A2VIQ0.7
0244-BROMO-3-(CARBOXYMETHOXY)-5-[3-
(CYCLOHEXYLAMINO)PHENYL]THIOPHENE-
2-CARBOXYLIC ACID
A2QBS0.71
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
A2WF30.71
4BGN-[4-(benzyloxy)phenyl]glycinamideA3CHO0.71
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,D2VKM0.72
11M1-(1'-{[3-(methylsulfanyl)-2-benzothiophen-
1-yl]carbonyl}spiro[1-benzofuran-
3,4'-piperidin]-5-yl)methanamine
A,B,C,D2ZEB0.73
D272-{[(2E)-3-(3,4-dimethoxyphenyl)prop-
2-enoyl]amino}benzoic acid
A,B,C,D2VD00.73
BRK{(2Z)-4-AMINO-2-[(4-METHOXYPHENYL)IMINO]-
2,3-DIHYDRO-1,3-THIAZOL-5-YL}(4-
METHOXYPHENYL)METHANONE
A2IZR0.72
IPC3-[ISOPROPYL(4-METHYLBENZOYL)AMINO]-
5-PHENYLTHIOPHENE-2-CARBOXYLIC ACID
A1YVX0.71