Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00058539
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 |
BE4 | (2R,3R,4R,5R)-2,5-BIS[(2,4-DIFLUOROBENZYL)OXY]- 3,4-DIHYDROXY-N,N'-BIS[(1R,2S)- 2-HYDROXY-2,3-DIHYDRO-1H-INDEN- 1-YL]HEXANEDIAMIDE | A | 1W5W | 0.71 |  |
BE6 | (2R,3R,4R,5R)-2,5-BIS[(2,5-DIFLUOROBENZYL)OXY]- 3,4-DIHYDROXY-N,N'-BIS[(1S,2R)- 2-HYDROXY-2,3-DIHYDRO-1H-INDEN- 1-YL]HEXANEDIAMIDE | A | 1W5Y | 0.71 | |
SHP | (4-HYDROXYMALTOSEPHENYL)GLYCINE | A | 1DSR | 0.71 | |
BEB | N,N-[2,5-O-DIBENZYL-GLUCARYL]-DI- [1-AMINO-INDAN-2-OL] | B | 1EBY | 0.73 | |
INT | [[PHENYLMETHYLOXY-CARBONYL]-ALANINYL]- VALINYL-[PHENYL-1-HYDROXYPROP-2- YL]-AMINE | A | 3TLH | 0.71 | |
| INT | [[PHENYLMETHYLOXY-CARBONYL]-ALANINYL]- VALINYL-[PHENYL-1-HYDROXYPROP-2- YL]-AMINE | A | 1B11 | 0.71 | |
| INT | [[PHENYLMETHYLOXY-CARBONYL]-ALANINYL]- VALINYL-[PHENYL-1-HYDROXYPROP-2- YL]-AMINE | A | 6FIV | 0.71 | |
| INT | [[PHENYLMETHYLOXY-CARBONYL]-ALANINYL]- VALINYL-[PHENYL-1-HYDROXYPROP-2- YL]-AMINE | A | 5FIV | 0.71 | |
| INT | [[PHENYLMETHYLOXY-CARBONYL]-ALANINYL]- VALINYL-[PHENYL-1-HYDROXYPROP-2- YL]-AMINE | A | 2HAH | 0.71 | |
GUM | 4-METHYL-UMBELLIFERYL-N-ACETYL- CHITOBIOSE | A | 1BB7 | 0.8 | |
ESY | benzyl N-[(benzyloxy)carbonyl]- L-alanyl-N~6~-[(2R,3S,4S)-3-formyl- 2-hydroxy-4-methylhexanoyl]-L-lysinate | K,Y | 3E47 | 0.72 | |
PH5 | 2-PHENYL-PROP5AC | A,B | 2BVE | 0.88 | |
485 | [2-AMINO-3-(4-HYDROXY-PHENYL)-PROPIONYLAMINO]- (3,4,5-TRIHYDROXY-6-METHYL-TETRAHYDRO- PYRAN-2-YL)- ACETIC ACID | A | 1JIL | 0.73 | |
BED | N,N-[2,5-O-DI-2-FLUORO-BENZYL-GLUCARYL]- DI-[1-AMINO-INDAN-2-OL] | A | 1EC0 | 0.71 | |
FKA | BENZYL-CARBAMIC ACID [8-DEETHYL- ASCOMYCIN-8-YL]ETHYL ESTER | B | 1A7X | 0.73 | |
BFN | 5-(acetylamino)-2,6-anhydro-3,5,9- trideoxy-3-fluoro-9-[(phenylcarbonyl)amino]- D-arabino-L-galacto-nononic acid | A | 3B69 | 0.73 | |
AZ0 | ethyl (5S,8S,14S)-14-hydroxy-5,8,11- tris(2-methylpropyl)-3,6,9,12-tetraoxo- 1-phenyl-2-oxa-4,7,10,11-tetraazapentadecan- 15-oate | A,B,C,D | 3GCD | 0.7 | |
MUS | 4-METHYL-2-OXO-2H-CHROMEN-7-YL 5- (ACETYLAMINO)-3,5-DIDEOXY-L-ERYTHRO- NON-2-ULOPYRANOSIDONIC ACID | A | 1S0J | 0.78 | |
SB3 | 1,3-DIPHENYL-1-PROPYL-1-(3,3-DIMETHYL- 1,2-DIOXYPENTYL)-2-PIPERIDINE CARBOXYLATE | A | 1FKG | 0.7 | |
K2Z | benzyl [(1S)-1-{[(1S,2S)-1-ethyl- 2-hydroxy-3-{[3-(4-methylpiperazin- 1-yl)propyl]amino}-3-oxopropyl]carbamoyl}- 3-methylbutyl]carbamate | A | 2R9F | 0.71 | |
ZAH | N-[(BENZYLOXY)CARBONYL]-L-ALANYL- L-PROLINE | A,B | 2BKL | 0.7 | |
OTG | ORTHO-TOLUOYLGLUCOSAMINE | A | 2YHX | 0.72 | |
SUW | ME-A-9-N-(NAPHTHYL-2-CARBONYL)- AMINO-9-DEOXY-NEU5AC | A | 1OD7 | 0.75 | |
LHA | DOUBLY FUNCTIONALIZED PAROMOMYCIN PM- II-162 | A,B | 2PWT | 0.81 | |
3TL | BENZYL (2S,5S,8S,9R,10R,11S,14S,17S)- 8,11-DIBENZYL-9,10-DIHYDROXY-5,14- DIISOPROPYL-3,6,13,16-TETRAOXO- 4,7,12,15-TETRAAZAOCTADECANE-2,17- DIYLDICARBAMATE | A,B | 2P3C | 0.72 | |
| 3TL | BENZYL (2S,5S,8S,9R,10R,11S,14S,17S)- 8,11-DIBENZYL-9,10-DIHYDROXY-5,14- DIISOPROPYL-3,6,13,16-TETRAOXO- 4,7,12,15-TETRAAZAOCTADECANE-2,17- DIYLDICARBAMATE | A | 2P3D | 0.72 | |
| 3TL | BENZYL (2S,5S,8S,9R,10R,11S,14S,17S)- 8,11-DIBENZYL-9,10-DIHYDROXY-5,14- DIISOPROPYL-3,6,13,16-TETRAOXO- 4,7,12,15-TETRAAZAOCTADECANE-2,17- DIYLDICARBAMATE | A,B | 2P3B | 0.72 | |
| 3TL | BENZYL (2S,5S,8S,9R,10R,11S,14S,17S)- 8,11-DIBENZYL-9,10-DIHYDROXY-5,14- DIISOPROPYL-3,6,13,16-TETRAOXO- 4,7,12,15-TETRAAZAOCTADECANE-2,17- DIYLDICARBAMATE | A,B | 2P3A | 0.72 | |
SBA | CARBOBENZYLOXY-(L)-LEUCINYL-(L)LEUCINYL METHOXYMETHYLKETONE | A | 1BQI | 0.73 | |
BEI | N,N-[2,5-O-[DIBENZYL]-GLUCARYL]- DI-[ISOLEUCYL-AMIDO-METHANE] | A | 1EBW | 0.78 | |
BAD | (1S)-2-amino-1-phenylethyl 6-O- beta-L-glucopyranosyl-alpha-D-mannopyranoside | A | 2QJE | 0.77 | |
77B | BENZYL N-({(2S,3S)-3-[(BENZYLAMINO)CARBONYL]OXIRAN- 2-YL}CARBONYL)-L-ISOLEUCYL-L-PROLINATE | A | 2DCC | 0.7 | |
73V | BENZYL N-({(2S,3S)-3-[(PROPYLAMINO)CARBONYL]OXIRAN- 2-YL}CARBONYL)-L-ISOLEUCYL-L-PROLINATE | A | 2DC6 | 0.71 | |
545 | [2-AMINO-3-(4-HYDROXY-PHENYL)-PROPIONYLAMINO]- (1,3,4,5-TETRAHYDROXY-4-HYDROXYMETHYL- PIPERIDIN-2-YL)- ACETIC ACID BUTYL ESTER | A | 1JIK | 0.71 | |
KI2 | 3-BENZYLOXYCARBONYLAMINO-2-HYDROXY- 4-PHENYL-BUTYRIC ACID | A,B,I,J | 1NH0 | 0.75 | |
| KI2 | 3-BENZYLOXYCARBONYLAMINO-2-HYDROXY- 4-PHENYL-BUTYRIC ACID | I | 1U8G | 0.75 | |
BDU | ME-A-9-N-(BIPHENYL-4-CARBONYL)- AMINO-9-DEOXY-NEU5AC | A | 1ODA | 0.77 | |
BEG | 2,5-DIBENZYLOXY-3-HYDROXY-HEXANEDIOIC ACID BIS- [(2-HYDROXY-INDAN-1-YL)-AMIDE] | A | 1D4I | 0.72 | |
BEC | [5-(2-HYDROXY-INDAN-1-YLCARBAMOYL)- 3,4-DIHYDROXY-2,5-[DIBENZYL-OXY]- PENTANOYL]-VALINYL-AMIDO-METHANE | B | 1EBZ | 0.73 | |
TB1 | (3S)-3-(BENZYLOXY)-L-ASPARTIC ACID | A,B,C | 2NWW | 0.71 | |
ZAF | O-(((1R)-((N-PHENYLMETHOXYCARBONYL- L-ALANYL)AMINO)ETHYL)HYDROXYPHOSPHONO)- L-BENZYLACETIC ACID | A | 6CPA | 0.7 | |
BE3 | N,N-[2,5-O-DI-3-FLUORO-BENZYL-GLUCARYL]- DI-[1-AMINO-INDAN-2-OL] | A | 1W5V | 0.71 | |
UMG | METHYL-UMBELLIFERTL-N-ACETYL-CHITOTRIOSE | A | 1BB6 | 0.78 | |
568 | N,N-[2,5-O-DIBENZYL-GLUCARYL]-DI- [1-AMINO-INDAN-2-OL] | B | 1WBK | 0.74 | |
BE5 | (2R,3R,4R,5R)-2,5-BIS[(2,3-DIFLUOROBENZYL)OXY]- 3,4-DIHYDROXY-N,N'-BIS[(1S,2R)- 2-HYDROXY-2,3-DIHYDRO-1H-INDEN- 1-YL]HEXANEDIAMIDE | A | 1W5X | 0.71 | |
BEH | 2,5-DIBENZYLOXY-3,4-DIHYDROXY-HEXANEDIOIC ACID BENZYLAMIDE (2- HYDROXY-INDAN-1-YL)-AMIDE | B | 1D4H | 0.73 | |
BND | ME-A-N-BENZOYL-AMINO-9-DEOXY-NEU5AC | A | 1OD9 | 0.76 | |
BO9 | N1-[(1R)-1-(DIHYDROXYBORYL)ETHYL]- N2-[(TERT-BUTOXYCARBONYL)-D-GAMMA- GLUTAMYL]-N6-[(BENZYLOXY)CARBONYL- L-LYSINAMIDE | A | 1Z6F | 0.7 | |