Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03169638
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 |
STH![]() | 2-AMINO-4H-1,3-BENZOXATHIIN-4-OL | A,B,C,D | 1XKL | 0.7 | ![]() |
TRT![]() | FRAGMENT OF TRITON X-100 | A,E | 2I0U | 0.72 | ![]() |
TRT![]() | FRAGMENT OF TRITON X-100 | A,B | 1OIZ | 0.72 | ![]() |
2TN![]() | 2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDE | A | 2OTF | 0.7 | ![]() |
2TN![]() | 2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDE | A | 2NUV | 0.7 | ![]() |
2TN![]() | 2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDE | A | 2OUB | 0.7 | ![]() |
AED![]() | 4-(2-aminoethyl)-2-cyclohexylphenol | A | 3BUH | 0.71 | ![]() |
SFX![]() | (3S)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan- 1-amine | A | 3GWW | 0.77 | ![]() |
DID![]() | 4,4'[1,6-HEXANEDIYLBIS(OXY)]BISBENZENECARBOXIMIDAMIDE | A,B,C,D | 1RPW | 0.72 | ![]() |
MTJ![]() | N,O-DIMETHYL-L-TYROSINE | A,B | 1ATL | 0.74 | ![]() |
RFX![]() | (3R)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan- 1-amine | A | 3GWV | 0.77 | ![]() |
458![]() | 4-[(1S,2S,5S)-5-(HYDROXYMETHYL)- 8-METHYL-3-OXABICYCLO[3.3.1]NON- 7-EN-2-YL]PHENOL | A,B | 2B1V | 0.71 | ![]() |
OHT![]() | 4-HYDROXYTAMOXIFEN | A | 3ERT | 0.75 | ![]() |
OHT![]() | 4-HYDROXYTAMOXIFEN | A,B | 1S9Q | 0.75 | ![]() |
OHT![]() | 4-HYDROXYTAMOXIFEN | A,B | 1VJB | 0.75 | ![]() |
OHT![]() | 4-HYDROXYTAMOXIFEN | A,B,C,P,R | 2JF9 | 0.75 | ![]() |
OHT![]() | 4-HYDROXYTAMOXIFEN | A,B,C,D,E,F | 2GPV | 0.75 | ![]() |
OHT![]() | 4-HYDROXYTAMOXIFEN | A | 2GPU | 0.75 | ![]() |
OHT![]() | 4-HYDROXYTAMOXIFEN | A | 2P7Z | 0.75 | ![]() |
OHT![]() | 4-HYDROXYTAMOXIFEN | A,B | 2BJ4 | 0.75 | ![]() |
OHT![]() | 4-HYDROXYTAMOXIFEN | A,B | 2FSZ | 0.75 | ![]() |
PZM![]() | 1-(4-METHOXYPHENYL)METHANAMINE | A,D,H | 2HJB | 0.81 | ![]() |
5RM![]() | (5R)-5-(4-methoxy-3-propoxyphenyl)- 5-methyl-1,3-oxazolidin-2-one | A,B | 1XM6 | 0.74 | ![]() |
AEH![]() | 4-(2-aminoethyl)-2-ethylphenol | A | 3BUG | 0.72 | ![]() |
OTR![]() | 4-(2R-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RGT | 0.77 | ![]() |
OTR![]() | 4-(2R-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RG2 | 0.77 | ![]() |
OTR![]() | 4-(2R-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 2AN4 | 0.77 | ![]() |
459![]() | 4-[(1S,2S,5S,9R)-5-(HYDROXYMETHYL)- 8,9-DIMETHYL-3-OXABICYCLO[3.3.1]NON- 7-EN-2-YL]PHENOL | A,B | 2FAI | 0.7 | ![]() |
2NI![]() | N-{2-[(4'-CYANO-1,1'-BIPHENYL-4- YL)OXY]ETHYL}-N'-HYDROXY-N-METHYLUREA | A | 1ZP5 | 0.7 | ![]() |
LNR![]() | L-NOREPINEPHRINE | A,B | 2QEO | 0.71 | ![]() |
LNR![]() | L-NOREPINEPHRINE | A | 3DYE | 0.71 | ![]() |
LNR![]() | L-NOREPINEPHRINE | A | 4PAH | 0.71 | ![]() |
CMZ![]() | (2S)-1-(2,5-dimethylphenoxy)-3- morpholin-4-ylpropan-2-ol | A | 2OF0 | 0.72 | ![]() |
OTS![]() | 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RG2 | 0.77 | ![]() |
OTS![]() | 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RG1 | 0.77 | ![]() |
OTS![]() | 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RH0 | 0.77 | ![]() |
OTS![]() | 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RGU | 0.77 | ![]() |
OTS![]() | 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RGT | 0.77 | ![]() |
TNT![]() | 1,3-BIS(AMIDINOPHENOXY)PROPANE | B | 102D | 0.73 | ![]() |
TNT![]() | 1,3-BIS(AMIDINOPHENOXY)PROPANE | A | 1PRP | 0.73 | ![]() |
HV7![]() | 1-METHYLAMINE-2-HYDROXY-4-METHOXY- BENZENE | C | 1A8G | 0.79 | ![]() |
ZHH![]() | 2-(4-METHOXYPHENYL)ETHANAMINE | D,H | 2HKR | 0.84 | ![]() |
ZHZ![]() | 2-(4-METHOXYPHENYL)ACETAMIDE | D,H | 2HKR | 0.76 | ![]() |
CTX![]() | (Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)- PHENOXY]-N,N-DIMETHYLETHANAMINE | A,B,C | 1YA4 | 0.77 | ![]() |
AEG![]() | 4-[(2R)-2-aminopropyl]phenol | A | 3BUF | 0.73 | ![]() |
AHT![]() | 4-(2,5-DIAMINO-5-HYDROXY-PENTYL)- PHENOL | I,T | 1TMB | 0.72 | ![]() |
PET![]() | 1,5-DI(4-AMIDINOPHENOXY)-3-OXA- PENTANE | B | 166D | 0.71 | ![]() |
T33![]() | 3,3'-DEIODO-THYROXINE | A,B | 1THA | 0.7 | ![]() |
BAD![]() | (1S)-2-amino-1-phenylethyl 6-O- beta-L-glucopyranosyl-alpha-D-mannopyranoside | A | 2QJE | 0.77 | ![]() |
4BR![]() | 2-(4-METHYLPHENOXY)ETHYLPHOSPHINATE | A | 1PE7 | 0.71 | ![]() |
M07![]() | (5R,7R,8S,9S,10R)-7-(HYDROXYMETHYL)- 3-(4-METHOXYPHENYL)-1,6-DIOXA-2- AZASPIRO[4.5]DEC-2-ENE-8,9,10-TRIOL | A | 2QRG | 0.72 | ![]() |
TAX![]() | (Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)- PHENOXY]-N,N-DIMETHYLETHANAMINIUM | A | 1FJ5 | 0.78 | ![]() |
505![]() | (2R)-1-(2,6-dimethylphenoxy)propan- 2-amine | A | 2VIN | 0.79 | ![]() |
TXF![]() | (Z)-4-(1-{4-[2-(DIMETHYLAMINO)ETHOXY]PHENYL}- 5-HYDROXY-2-PHENYLPENT-1-ENYL)PHENOL | A,B,C,D,E | 2EWP | 0.73 | ![]() |
296![]() | (3R)-3-amino-2,2-difluoro-3-(4- methoxyphenyl)propanoic acid | A,B | 2RJS | 0.72 | ![]() |
ANM![]() | ANISOMYCIN | 1,2,4,A,B,C, D,E,J,K,L,M, N,O,P,R,S,T, U,V,Z | 1K73 | 0.74 | ![]() |
ANM![]() | ANISOMYCIN | 0,1,3,9,A,B, C,F,H,J,K,L, M,N,O,Q,R,S, T,U,Y,Z | 3CC4 | 0.74 | ![]() |
C18![]() | 7-[(3-CHLOROBENZYL)OXY]-4-[(METHYLAMINO)METHYL]- 2H-CHROMEN-2-ONE | A,B | 2V61 | 0.72 | ![]() |
BR3![]() | (6-METHYL-3,4-DIHYDRO-2H-CHROMEN- 2-YL)METHYLPHOSPHINATE | A | 1PE5 | 0.71 | ![]() |
AEF![]() | 4-(2-aminoethyl)phenol | A | 3BRA | 0.72 | ![]() |
689![]() | 4-[(1S,2S,5S)-5-(HYDROXYMETHYL)- 6,8,9-TRIMETHYL-3-OXABICYCLO[3.3.1]NON- 7-EN-2-YL]PHENOL | A,B | 1ZKY | 0.7 | ![]() |
TON![]() | 2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOL | A,B | 1SEZ | 0.71 | ![]() |
MR1![]() | 1-(1,3-BENZODIOXOL-5-YL)METHANAMINE | A | 2ORQ | 0.76 | ![]() |
SHP![]() | (4-HYDROXYMALTOSEPHENYL)GLYCINE | A | 1DSR | 0.74 | ![]() |
T3O![]() | 4-[(1S,2R,5S)-4,4,8-TRIMETHYL-3- OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL | A,B | 2G44 | 0.7 | ![]() |
PNT![]() | 1,5-BIS(4-AMIDINOPHENOXY)PENTANE | X | 3CR4 | 0.73 | ![]() |
PNT![]() | 1,5-BIS(4-AMIDINOPHENOXY)PENTANE | B | 1D64 | 0.73 | ![]() |
PNT![]() | 1,5-BIS(4-AMIDINOPHENOXY)PENTANE | X | 3CR5 | 0.73 | ![]() |
PNT![]() | 1,5-BIS(4-AMIDINOPHENOXY)PENTANE | A,B,D,E | 1RKW | 0.73 | ![]() |