Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00581051
You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.
You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.
Ligand | Ligand name | Chain | PDB | Tanimoto | Ligand in PDB |
---|---|---|---|---|---|
Ligand | Ligand name | Chain | PDB | Tanimoto | Ligand in PDB |
826 | 1,3,4,9-TETRAHYDRO-2-(HYDROXYBENZOYL)- 9-[(4-HYDROXYPHENYL)METHYL]-6-METHOXY- 2H-PYRIDO[3,4-B]INDOLE | A,B | 1I30 | 0.7 | |
709 | N-(7-CARBAMIMIDOYL-NAPHTHALEN-1- YL)-3-HYDROXY-2-METHYL-BENZAMIDE | A | 1ZSJ | 0.76 | |
MSI | 1-METHYL-5-(2-PHENOXYMETHYL-PYRROLIDINE- 1-SULFONYL)-1H-INDOLE-2,3-DIONE | A | 1GFW | 0.75 | |
DNS | N~6~-{[5-(DIMETHYLAMINO)-1-NAPHTHYL]SULFONYL}- L-LYSINE | H | 1WZ1 | 0.72 | |
MUT | (5S)-3-(3-ACETYLPHENYL)-N-[(1S,2R)- 1-BENZYL-2-HYDROXY-3-{ISOBUTYL[(4- METHOXYPHENYL)SULFONYL]AMINO}PROPYL]- 2-OXO-1,3-OXAZOLIDINE-5-CARBOXAMIDE | A,B | 2I0D | 0.75 | |
DBR | ADAMANTANE-1-CARBOXYLIC ACID-5- DIMETHYLAMINO-NAPHTHALENE-1-SULFONYLAMINO- BUTYL-AMIDE | A | 1RF9 | 0.7 | |
421 | 6-CARBAMIMIDOYL-4-(3-HYDROXY-2- METHYL-BENZOYLAMINO)-NAPHTHALENE- 2-CARBOXYLIC ACID METHYL ESTER | A | 1ZSK | 0.74 | |
ZY3 | N-{(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 | A | 2WF3 | 0.73 | |
LI7 | (3E)-3-[(4-HYDROXYPHENYL)IMINO]- 1H-INDOL-2(3H)-ONE | A | 1YXX | 0.73 | |
DSO | ADAMANTANE-1-CARBOXYLIC ACID-5- DIMETHYLAMINO-NAPHTHALENE-1-SULFONYLAMINO- OCTYL-AMIDE | A | 1LWL | 0.7 | |
DSO | ADAMANTANE-1-CARBOXYLIC ACID-5- DIMETHYLAMINO-NAPHTHALENE-1-SULFONYLAMINO- OCTYL-AMIDE | A | 1RE9 | 0.7 | |
UN7 | 3-[3-(3(S)-METHYLCARBAMOYL-7-SULFOAMINO- 3,4,-DIHYDRO-1H-ISOQUINOLIN-2-YL)- 3-OXO-PROPYL]-BENZOIC ACID | A | 2F71 | 0.7 | |
A75 | 2-[(PHENYLSULFONYL)AMINO]-5,6,7,8- TETRAHYDRONAPHTHALENE-1-CARBOXYLIC ACID | A | 1YW8 | 0.72 | |
IOK | N-[(1R)-3-(4-HYDROXYPHENYL)-1-METHYLPROPYL]- 2-(2-PHENYL-1H-INDOL-3-YL)ACETAMIDE | A,B | 2IOK | 0.7 | |
TAV | N-METHYL-N-{2-[(2-NAPHTHYLSULFONYL)AMINO]- 5-[(2-NAPHTHYLSULFONYL)OXY]BENZOYL}- L-ASPARTIC ACID | A,B,C,D | 1YBG | 0.78 | |
968 | 2-[(7-HYDROXY-NAPHTHALEN-1-YL)- OXALYL-AMINO]-BENZOIC ACID | A | 1ONZ | 0.72 | |
DY6 | 2-({[3-(3,4-dihydroisoquinolin- 2(1H)-ylsulfonyl)phenyl]carbonyl}amino)benzoic acid | A,B | 3DY6 | 0.77 | |
XIN | methyl (3Z)-3-{[(4-{methyl[(4-methylpiperazin- 1-yl)acetyl]amino}phenyl)amino](phenyl)methylidene}- 2-oxo-2,3-dihydro-1H-indole-6-carboxylate | A | 3C7Q | 0.7 | |
C00 | 2-(4-hydroxybiphenyl-3-yl)-4-methyl- 1H-isoindole-1,3(2H)-dione | A | 3BYX | 0.77 | |
C00 | 2-(4-hydroxybiphenyl-3-yl)-4-methyl- 1H-isoindole-1,3(2H)-dione | A | 3BZ0 | 0.77 | |
DDT | N,O-DIDANSYL-L-TYROSINE | A,B | 1JG0 | 0.78 | |
RYU | (2E,3S)-3-HYDROXY-5'-[(4-HYDROXYPIPERIDIN- 1-YL)SULFONYL]-3-METHYL-1,3-DIHYDRO- 2,3'-BIINDOL-2'(1'H)-ONE | A | 2BHH | 0.78 | |
UNB | N-(4-CARBAMIMIDOYL-BENZYL)-2-[2- HYDROXY-6-METHYL-3-(NAPHTHALENE- 1-SULFONYLAMINO)-PHENYL]-ACETAMIDE | A,B | 2BDY | 0.76 | |
DZ1 | N-(3,5-dibromo-4-hydroxyphenyl)- 2,6-dimethylbenzamide | A,B | 3ESN | 0.7 | |
367 | 3-HYDROXYPROPYL 3-[({7-[AMINO(IMINO)METHYL]- 1-NAPHTHYL}AMINO)CARBONYL]BENZENESULFONATE | A | 1ZRK | 0.71 | |
033 | N-({4'-[(1-BENZOFURAN-2-YLCARBONYL)AMINO]- 1,1'-BIPHENYL-4-YL}SULFONYL)-L- VALINE | A,B,C,D | 1ZTQ | 0.73 | |
C44 | N-{(1S,2R)-1-benzyl-2-hydroxy-3- [(1S)-1,2,3,4-tetrahydronaphthalen- 1-ylamino]propyl}-3-(1,1-dioxido- 1,2-thiazinan-2-yl)-5-(ethylamino)benzamide | A | 2VIJ | 0.7 | |
989 | 2-{[4-(2-ACETYLAMINO-2-PENTYLCARBAMOYL- ETHYL)-NAPHTHALEN-1-YL]-OXALYL- AMINO}-BENZOIC ACID | A | 1NL9 | 0.72 | |
A84 | 2-[({2-[(1Z)-3-(DIMETHYLAMINO)PROP- 1-ENYL]-4-FLUOROPHENYL}SULFONYL)AMINO]- 5,6,7,8-TETRAHYDRONAPHTHALENE-1- CARBOXYLIC ACID | A | 1YW9 | 0.75 | |
ITB | 2-(CARBOXYMETHYL)-1-OXO-1,2-DIHYDRONAPHTHO[1,2- D]ISOTHIAZOLE-4-CARBOXYLIC ACID 3,3- DIOXIDE | A | 2NVD | 0.71 | |
MUI | (5S)-3-(4-ACETYLPHENYL)-N-[(1S,2R)- 1-BENZYL-2-HYDROXY-3-{ISOBUTYL[(4- METHOXYPHENYL)SULFONYL]AMINO}PROPYL]- 2-OXO-1,3-OXAZOLIDINE-5-CARBOXAMIDE | A,B | 2I0A | 0.73 | |
BSD | N-{(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,D | 2VKM | 0.73 | |
I84 | [2,6-DIMETHYL-4-(2-O-TOLYL-ACETYLAMINO)- BENZENESULFONYL]-GLYCINE | A | 1EKO | 0.7 | |
I84 | [2,6-DIMETHYL-4-(2-O-TOLYL-ACETYLAMINO)- BENZENESULFONYL]-GLYCINE | A | 1EL3 | 0.7 | |
LS1 | N-METHYL-4-{[(2-OXO-1,2-DIHYDRO- 3H-INDOL-3-YLIDENE)METHYL]AMINO}BENZENESULFONAMIDE | A | 1KE5 | 0.72 |