Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02468337
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 |
CLK | ALPHA-N-DICHLOROACETYL-P-AMINOPHENYLSERINOL | A | 1GRQ | 0.74 | |
GB2 | (2R,3R,4S)-2-({[(1S)-2-HYDROXY- 1-PHENYLETHYL]AMINO}METHYL)PYRROLIDINE- 3,4-DIOL | A | 2F1A | 0.73 | |
GB1 | (2R,3R,4S)-2-({[(1R)-2-HYDROXY- 1-PHENYLETHYL]AMINO}METHYL)PYRROLIDINE- 3,4-DIOL | A | 2F18 | 0.73 | |
44B | 1,1,1,3,3,3-HEXAFLUORO-2-{4-[(2,2,2- TRIFLUOROETHYL)AMINO]PHENYL}PROPAN- 2-OL | A,B,C,D | 1PQ9 | 0.76 | |
SC5 | 2-[((R)-{[4-(AMINOMETHYL)PHENYL]AMINO}{[(1R)- 1-PHENYLETHYL]AMINO}METHYL)AMINO]ETHANE- 1,1-DIOL | H | 1YNK | 0.73 | |
VAC | N,N-BIS(2-HYDROXY-1-INDANYL)-2,6- DIPHENYLMETHYL-4-HYDROXY-1,7-HEPTANDIAMIDE | B | 4PHV | 0.7 | |
1JZ | 1-[4-(hydroxymethyl)phenyl]guanidine | B | 3FVF | 0.7 | |
DMQ | [4-R-(-4-ALPHA,5-ALPHA,6-BETA,7- BETA)]-HEXAHYDRO-5,6-BIS(HYDROXY)- 1,3-BIS([(3-AMINO)PHENYL]METHYL)- 4,7-BIS(PHENYLMETHYL)-2H-1,3-DIAZEPINONE | B | 1RQ9 | 0.71 | |
DMQ | [4-R-(-4-ALPHA,5-ALPHA,6-BETA,7- BETA)]-HEXAHYDRO-5,6-BIS(HYDROXY)- 1,3-BIS([(3-AMINO)PHENYL]METHYL)- 4,7-BIS(PHENYLMETHYL)-2H-1,3-DIAZEPINONE | A,B | 1DMP | 0.71 | |
DMQ | [4-R-(-4-ALPHA,5-ALPHA,6-BETA,7- BETA)]-HEXAHYDRO-5,6-BIS(HYDROXY)- 1,3-BIS([(3-AMINO)PHENYL]METHYL)- 4,7-BIS(PHENYLMETHYL)-2H-1,3-DIAZEPINONE | A | 1MER | 0.71 | |
SOA | ISATOIC ANHYDRIDE | A | 1BIO | 0.71 | |
PIR | 2-(4-AMINO-PHENYL)-5-HYDROXYMETHYL- PYRROLIDINE-3,4-DIOL | A,B,C,D | 2MAS | 0.81 | |
GB3 | (2R,3R,4S,5R)-2-({[(1R)-2-HYDROXY- 1-PHENYLETHYL]AMINO}METHYL)-5-METHYLPYRROLIDINE- 3,4-DIOL | A | 2F1B | 0.74 | |
C47 | METHYL (3R)-1-[(5S,6S,8R)-5-AMINO- 9-BUTYLAMINO-6-HYDROXY-3,3,8-TRIMETHYL- 9-OXO-NONANOYL]-3,4-DIHYDRO-2H- QUINOLINE-3-CARBOXYLATE | C,O | 2V16 | 0.7 | |
CLC | N-ACETYL-P-NITROPHENYLSERINOL | A | 1GRR | 0.75 | |
VG0 | N-{(1S,2R)-1-benzyl-2-hydroxy-3- [(1,1,5-trimethylhexyl)amino]propyl}- 3-(ethylamino)-5-(2-oxopyrrolidin- 1-yl)benzamide | A | 2VIE | 0.7 | |
BRX | BROMAMPHENICOL | A,B,C,D,E,F | 2JKL | 0.71 | |
HNT | [(3R)-7-NITRO-1,2,3,4-TETRAHYDROISOQUINOLIN- 3-YL]METHANOL | A,B | 2G70 | 0.72 | |
SK3 | (1R,2R,3S,4S,5R)-5-(BENZYLAMINO)CYCLOPENTANE- 1,2,3,4-TETROL | A | 2F7R | 0.72 | |
VBZ | (1R,4R,5R,7R,8R)-2-Benzyl-5-hydroxymethyl- 2-aza-bicyclo[2.2.2]octane-4,7,8- triol | A,B | 2VO5 | 0.7 |