Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02465750
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 |
1CD | (13R,15S)-13-METHYL-16-OXA-8,9,12,22,24- PENTAAZAHEXACYCLO[15.6.2.16,9.1,12,15.0,2,7.0,21,25]HEPTACOSA- 1(24),2,4,6,17(25),18,20-HEPTAENE- 23,26-DIONE | A | 2DS1 | 0.71 | |
C39 | N-[(2S,4S,5S,7R)-4-AMINO-8-(BUTYLAMINO)- 5-HYDROXY-7-METHYL-2-(1-METHYLETHYL)- 8-OXOOCTYL]-2-(3-METHOXYPROPOXY)BENZAMIDE | C,O | 2V12 | 0.72 | |
5CN | 5-CYANO-FURAN-2-CARBOXYLIC ACID [5- HYDROXYMETHYL-2-(4-METHYL-PIPERIDIN- 1-YL)-PHENYL]-AMIDE | A | 2I1M | 0.72 | |
5CN | 5-CYANO-FURAN-2-CARBOXYLIC ACID [5- HYDROXYMETHYL-2-(4-METHYL-PIPERIDIN- 1-YL)-PHENYL]-AMIDE | A | 2I0Y | 0.72 | |
A24 | (3-NITRO-5-(2-MORPHOLIN-4-YL-ETHYLAMINOCARBONYL)PHENYL)- GALACTOPYRANOSIDE | D,E,F,G,H | 1JR0 | 0.7 | |
4BO | (3S)-3-amino-4-oxo-4-[(4-phenylmethoxyphenyl)amino]butanoic acid | A | 3CHP | 0.71 | |
B8L | 3-[(3-SEC-BUTYL-4-HYDROXYBENZOYL)AMINO]AZEPAN- 4-YL 4-(2-HYDROXY-5-METHOXYBENZOYL)BENZOATE | A | 1REK | 0.72 | |
2GJ | 5-[2,4-DIHYDROXY-5-(1-METHYLETHYL)PHENYL]- N-ETHYL-4-[4-(MORPHOLIN-4-YLMETHYL)PHENYL]ISOXAZOLE- 3-CARBOXAMIDE | A | 2VCI | 0.71 | |
323 | 2-[3,6-bis(dimethylamino)xanthen- 9-yl]-5-methanoyl-benzoate | A,P,Q | 3D1F | 0.74 | |
515 | 3-({5-[(N-ACETYL-3-{4-[(CARBOXYCARBONYL)(2- CARBOXYPHENYL)AMINO]-1-NAPHTHYL}- L-ALANYL)AMINO]PENTYL}OXY)-2-NAPHTHOIC ACID | A | 1NNY | 0.78 | |
44C | A | 2FBR | 0.76 | ||
757 | A,B,C | 3DM6 | 0.7 | ||
371 | 2-(3,4-DIHYDROXYPHENYL)-8-(1,1- DIOXIDOISOTHIAZOLIDIN-2-YL)-3-HYDROXY- 6-METHYL-4H-CHROMEN-4-ONE | A | 2DUV | 0.73 | |
561 | 6-HYDROXY-3-{(4R)-1-[4-(1-NAPHTHYLAMINO)- 4-OXOBUTYL]-1,2,3-TRIAZOLIDIN-4- YL}-1-BENZOFURAN-5-CARBOXYLIC ACID | A,B | 2QCT | 0.75 | |
C40 | N-[(2R,4S,5S,7R)-4-AMINO-8-(BUTYLAMINO)- 5-HYDROXY-2,7-DIMETHYL-8-OXOOCTYL]- 2-(3-METHOXYPROPOXY)BENZAMIDE | A | 2V13 | 0.72 | |
79Z | 5-cyclopropyl-2-(4-fluorophenyl)- 6-[(2-hydroxyethyl)(methylsulfonyl)amino]- N-methyl-1-benzofuran-3-carboxamide | A | 3FQL | 0.75 | |
79Z | 5-cyclopropyl-2-(4-fluorophenyl)- 6-[(2-hydroxyethyl)(methylsulfonyl)amino]- N-methyl-1-benzofuran-3-carboxamide | A,B | 3FQK | 0.75 | |
CS9 | N'-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)- 2-HYDROXY-2-[(2R,4R)-4-PHENOXYPYRROLIDIN- 2-YL]ETHYL}-5-METHYL-N,N-DIPROPYLISOPHTHALAMIDE | A,B | 2QMF | 0.71 | |
418 | 2-{4-[2-(S)-ALLYLOXYCARBONYLAMINO- 3-{4-[(2-CARBOXY-PHENYL)-OXALYL- AMINO]-PHENYL}-PROPIONYLAMINO]- BUTOXY}-6-HYDROXY-BENZOIC ACID METHYL ESTER | A | 1PH0 | 0.77 | |
426 | 6-[(Z)-AMINO(IMINO)METHYL]-N-[3- (CYCLOPENTYLOXY)PHENYL]-2-NAPHTHAMIDE | A | 1OWI | 0.71 | |
6CA | A | 2FLM | 0.75 | ||
15B | N-{3-[4-(3-AMINO-PROPYL)-PIPERAZIN- 1-YL]-PROPYL}-3-NITRO-5-(GALACTOPYRANOSYL)- BETA-BENZAMIDE | D,E,F,G,H | 1PZJ | 0.7 |