Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00911622
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 |
F59 | N-[(biphenyl-4-ylcarbonyl)carbamoyl]- beta-D-glucopyranosylamine | A | 2QLN | 0.73 | |
15M | (5Z)-7-{(1R,2R,3R,5S)-3,5-DIHYDROXY- 2-[(1E,3S)-3-HYDROXY-5-PHENYLPENT- 1-ENYL]CYCLOPENTYL}-N-ETHYLHEPT- 5-ENAMIDE | A | 2F38 | 0.71 | |
BFN | 5-(acetylamino)-2,6-anhydro-3,5,9- trideoxy-3-fluoro-9-[(phenylcarbonyl)amino]- D-arabino-L-galacto-nononic acid | A | 3B69 | 0.7 | |
BAD | (1S)-2-amino-1-phenylethyl 6-O- beta-L-glucopyranosyl-alpha-D-mannopyranoside | A | 2QJE | 0.71 | |
PIR | 2-(4-AMINO-PHENYL)-5-HYDROXYMETHYL- PYRROLIDINE-3,4-DIOL | A,B,C,D | 2MAS | 0.72 | |
SK3 | (1R,2R,3S,4S,5R)-5-(BENZYLAMINO)CYCLOPENTANE- 1,2,3,4-TETROL | A | 2F7R | 0.83 | |
OTG | ORTHO-TOLUOYLGLUCOSAMINE | A | 2YHX | 0.74 | |
LKS | N-(1-IMINIO-2-PHENYLETHYL)-5-THIOHEXOPYRANOSYLAMINE BROMIDE | A | 1R34 | 0.76 | |
PS0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL | A,B,I | 1ZSR | 0.75 | |
PS0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL | I | 1ZJ7 | 0.75 | |
PS0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL | I | 1ZLF | 0.75 | |
PS0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL | I | 1HEG | 0.75 | |
PS0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL | I | 1FQX | 0.75 | |
PS0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL | A,B,I | 1IIQ | 0.75 | |
PS0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL | I | 1HEF | 0.75 | |
445 | N-[oxo(phenylamino)acetyl]-beta- D-glucopyranosylamine | A | 3CUW | 0.71 | |
GB2 | (2R,3R,4S)-2-({[(1S)-2-HYDROXY- 1-PHENYLETHYL]AMINO}METHYL)PYRROLIDINE- 3,4-DIOL | A | 2F1A | 0.77 | |
COR | 2,4-DIAMINO-1,5-DIPHENYL-3-HYDROXYPENTANE | A | 9HVP | 0.72 | |
K7I | L-alanyl-N-[(1S,2R)-1-benzyl-2- hydroxypropyl]-L-alaninamide | A,B | 2QXG | 0.74 | |
376 | N-[(naphthalen-1-ylamino)(oxo)acetyl]- beta-D-glucopyranosylamine | A | 3CUU | 0.71 | |
PR0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL | A,B,I | 1ZSF | 0.75 | |
PR0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL | A | 1JLD | 0.75 | |
PR0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL | A,B | 1IDA | 0.75 | |
PR0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL | A,B | 1IDB | 0.75 | |
PR0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL | A,B,I | 1Z8C | 0.75 | |
PR0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL | A,B,I | 1ZBG | 0.75 | |
PR0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL | A,B,I | 1ZPK | 0.75 | |
GB1 | (2R,3R,4S)-2-({[(1R)-2-HYDROXY- 1-PHENYLETHYL]AMINO}METHYL)PYRROLIDINE- 3,4-DIOL | A | 2F18 | 0.77 | |
2SK | (1R,2R,3R,4S,5R)-4-(BENZYLAMINO)- 5-(METHYLTHIO)CYCLOPENTANE-1,2,3- TRIOL | A | 2F7P | 0.78 | |
412 | (R)-1-(4-(4-(HYDROXYMETHYL)-1,3,2- DIOXABOROLAN-2-YL)PHENETHYL)GUANIDINE | A | 1ZML | 0.73 | |
F55 | N-{[(4-chlorophenyl)carbonyl]carbamoyl}- beta-D-glucopyranosylamine | A | 2QN3 | 0.7 | |
S13 | (3S,5R,7R,8S,9S,10R)-7-(hydroxymethyl)- 3-(4-methylphenyl)-1,6-dioxa-2- azaspiro[4.5]decane-8,9,10-triol | A | 2QRQ | 0.75 | |
BZD | A | 1K06 | 0.76 | ||
BZD | A | 1K08 | 0.76 | ||
BZD | A | 2QNB | 0.76 | ||
F68 | N-{[(4-methylphenyl)carbonyl]carbamoyl}- beta-D-glucopyranosylamine | A | 2QLM | 0.76 | |
LHA | DOUBLY FUNCTIONALIZED PAROMOMYCIN PM- II-162 | A,B | 2PWT | 0.71 | |
PDH | (2S)-2-AMINO-3-PHENYL-1-PROPANOL | A | 1GQ0 | 0.72 | |
TA2 | (2R,3S)-3-AMINO-3-PHENYLPROPANE- 1,2-DIOL | A,B | 2IFR | 0.74 | |
G27 | (3R,4R,5R)-5-(HYDROXYMETHYL)-1- (3-PHENYLPROPYL)PIPERIDINE-3,4- DIOL | A | 2G9R | 0.84 | |
G27 | (3R,4R,5R)-5-(HYDROXYMETHYL)-1- (3-PHENYLPROPYL)PIPERIDINE-3,4- DIOL | A | 2G9U | 0.84 | |
VBZ | (1R,4R,5R,7R,8R)-2-Benzyl-5-hydroxymethyl- 2-aza-bicyclo[2.2.2]octane-4,7,8- triol | A,B | 2VO5 | 0.75 | |
HPH | PHENYLALANINDIOL | I | 1E5O | 0.71 | |
HPH | PHENYLALANINDIOL | A,B | 1ODX | 0.71 | |
HPH | PHENYLALANINDIOL | A,B | 1MTB | 0.71 | |
HPH | PHENYLALANINDIOL | A,B | 2FGV | 0.71 | |
HPH | PHENYLALANINDIOL | A | 1ODW | 0.71 | |
HPH | PHENYLALANINDIOL | A,B | 2FGU | 0.71 | |
HPH | PHENYLALANINDIOL | A,B | 1HXB | 0.71 | |
PHL | L-PHENYLALANINOL | A,B | 1JOH | 0.72 | |
PHL | L-PHENYLALANINOL | I | 3APR | 0.72 | |
PHL | L-PHENYLALANINOL | A | 1DLZ | 0.72 | |
PHL | L-PHENYLALANINOL | A | 1IH9 | 0.72 | |
PHL | L-PHENYLALANINOL | A | 1OB4 | 0.72 | |
PHL | L-PHENYLALANINOL | I | 2ER6 | 0.72 | |
PHL | L-PHENYLALANINOL | A | 1R9U | 0.72 | |
PHL | L-PHENYLALANINOL | A | 1OB7 | 0.72 | |
PHL | L-PHENYLALANINOL | A,B | 1OB6 | 0.72 | |
PHL | L-PHENYLALANINOL | A,B,C | 1AMT | 0.72 | |
APL | N-(1-BENZYL-3,3,3-TRIFLUORO-2,2- DIHYDROXY-PROPYL)-ACETAMIDE | B,C | 1GG6 | 0.71 | |
ALE | L-EPINEPHRINE | A | 3PAH | 0.71 | |
ALE | L-EPINEPHRINE | A | 2HKK | 0.71 | |
GB3 | (2R,3R,4S,5R)-2-({[(1R)-2-HYDROXY- 1-PHENYLETHYL]AMINO}METHYL)-5-METHYLPYRROLIDINE- 3,4-DIOL | A | 2F1B | 0.78 | |
179 | N-[(naphthalen-2-ylamino)(oxo)acetyl]- beta-D-glucopyranosylamine | A | 3CUT | 0.71 |