Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03029653
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 |
HTA![]() | N-[3-(N'-HYDROXYCARBOXAMIDO)-2- (2-METHYLPROPYL)-PROPANOYL]-O-TYROSINE- N-METHYLAMIDE | A | 1FBL | 0.71 | ![]() |
OHT![]() | 4-HYDROXYTAMOXIFEN | A | 3ERT | 0.7 | ![]() |
OHT![]() | 4-HYDROXYTAMOXIFEN | A,B | 1S9Q | 0.7 | ![]() |
OHT![]() | 4-HYDROXYTAMOXIFEN | A,B | 1VJB | 0.7 | ![]() |
OHT![]() | 4-HYDROXYTAMOXIFEN | A,B,C,P,R | 2JF9 | 0.7 | ![]() |
OHT![]() | 4-HYDROXYTAMOXIFEN | A,B,C,D,E,F | 2GPV | 0.7 | ![]() |
OHT![]() | 4-HYDROXYTAMOXIFEN | A | 2GPU | 0.7 | ![]() |
OHT![]() | 4-HYDROXYTAMOXIFEN | A | 2P7Z | 0.7 | ![]() |
OHT![]() | 4-HYDROXYTAMOXIFEN | A,B | 2BJ4 | 0.7 | ![]() |
OHT![]() | 4-HYDROXYTAMOXIFEN | A,B | 2FSZ | 0.7 | ![]() |
DID![]() | 4,4'[1,6-HEXANEDIYLBIS(OXY)]BISBENZENECARBOXIMIDAMIDE | A,B,C,D | 1RPW | 0.7 | ![]() |
OTS![]() | 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RG2 | 0.73 | ![]() |
OTS![]() | 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RG1 | 0.73 | ![]() |
OTS![]() | 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RH0 | 0.73 | ![]() |
OTS![]() | 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RGU | 0.73 | ![]() |
OTS![]() | 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RGT | 0.73 | ![]() |
ZHZ![]() | 2-(4-METHOXYPHENYL)ACETAMIDE | D,H | 2HKR | 0.78 | ![]() |
MTJ![]() | N,O-DIMETHYL-L-TYROSINE | A,B | 1ATL | 0.73 | ![]() |
AHT![]() | 4-(2,5-DIAMINO-5-HYDROXY-PENTYL)- PHENOL | I,T | 1TMB | 0.76 | ![]() |
OTR![]() | 4-(2R-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RGT | 0.73 | ![]() |
OTR![]() | 4-(2R-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RG2 | 0.73 | ![]() |
OTR![]() | 4-(2R-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 2AN4 | 0.73 | ![]() |
C4M![]() | N-[(2R,3S)-3-AMINO-2-HYDROXY-4- PHENYLBUTYL]-4-METHOXY-2,3,6-TRIMETHYLBENZENESULFONAMIDE | B,I | 2C93 | 0.73 | ![]() |
TON![]() | 2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOL | A,B | 1SEZ | 0.73 | ![]() |
CMZ![]() | (2S)-1-(2,5-dimethylphenoxy)-3- morpholin-4-ylpropan-2-ol | A | 2OF0 | 0.7 | ![]() |
MR1![]() | 1-(1,3-BENZODIOXOL-5-YL)METHANAMINE | A | 2ORQ | 0.77 | ![]() |
TRT![]() | FRAGMENT OF TRITON X-100 | A,E | 2I0U | 0.74 | ![]() |
TRT![]() | FRAGMENT OF TRITON X-100 | A,B | 1OIZ | 0.74 | ![]() |
AEH![]() | 4-(2-aminoethyl)-2-ethylphenol | A | 3BUG | 0.77 | ![]() |
MTY![]() | META-TYROSINE | A | 2TOH | 0.7 | ![]() |
MTY![]() | META-TYROSINE | A,B | 1BIQ | 0.7 | ![]() |
MTY![]() | META-TYROSINE | A | 1Q7O | 0.7 | ![]() |
BHQ![]() | 2,5-DITERT-BUTYLBENZENE-1,4-DIOL | A,B | 2AGV | 0.71 | ![]() |
ZHH![]() | 2-(4-METHOXYPHENYL)ETHANAMINE | D,H | 2HKR | 0.87 | ![]() |
EUG![]() | 2-METHOXY-4-VINYL-PHENOL | A | 2QU9 | 0.7 | ![]() |
EUG![]() | 2-METHOXY-4-VINYL-PHENOL | A,B | 1QLU | 0.7 | ![]() |
EUG![]() | 2-METHOXY-4-VINYL-PHENOL | A,B | 1W1J | 0.7 | ![]() |
EUG![]() | 2-METHOXY-4-VINYL-PHENOL | A,B | 2VAO | 0.7 | ![]() |
EUG![]() | 2-METHOXY-4-VINYL-PHENOL | A,B | 1W1K | 0.7 | ![]() |
EUG![]() | 2-METHOXY-4-VINYL-PHENOL | A,B | 1DZN | 0.7 | ![]() |
EUG![]() | 2-METHOXY-4-VINYL-PHENOL | A,B | 1W1L | 0.7 | ![]() |
EUG![]() | 2-METHOXY-4-VINYL-PHENOL | A,B | 1W1M | 0.7 | ![]() |
EYK![]() | 2-tert-butylbenzene-1,4-diol | D,F | 3EYM | 0.72 | ![]() |
EYK![]() | 2-tert-butylbenzene-1,4-diol | B | 3EYK | 0.72 | ![]() |
5RM![]() | (5R)-5-(4-methoxy-3-propoxyphenyl)- 5-methyl-1,3-oxazolidin-2-one | A,B | 1XM6 | 0.73 | ![]() |
RFX![]() | (3R)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan- 1-amine | A | 3GWV | 0.76 | ![]() |
OXN![]() | OXTOXYNOL-10 | A | 1IKT | 0.71 | ![]() |
OXN![]() | OXTOXYNOL-10 | A,B | 2Q32 | 0.71 | ![]() |
OXN![]() | OXTOXYNOL-10 | A,B | 1UEH | 0.71 | ![]() |
OXN![]() | OXTOXYNOL-10 | A,B | 2D4Q | 0.71 | ![]() |
AEG![]() | 4-[(2R)-2-aminopropyl]phenol | A | 3BUF | 0.75 | ![]() |
ANM![]() | ANISOMYCIN | 1,2,4,A,B,C, D,E,J,K,L,M, N,O,P,R,S,T, U,V,Z | 1K73 | 0.72 | ![]() |
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 | 0.72 | ![]() |
4SR![]() | (4S)-4-[3-(CYCLOPENTYLOXY)-4-METHOXYPHENYL]PYRROLIDIN- 2-ONE | A,B | 1XN0 | 0.73 | ![]() |
LNR![]() | L-NOREPINEPHRINE | A,B | 2QEO | 0.74 | ![]() |
LNR![]() | L-NOREPINEPHRINE | A | 3DYE | 0.74 | ![]() |
LNR![]() | L-NOREPINEPHRINE | A | 4PAH | 0.74 | ![]() |
SFX![]() | (3S)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan- 1-amine | A | 3GWW | 0.76 | ![]() |
DPD![]() | A,B | 1QIW | 0.74 | ![]() | |
DPD![]() | A | 1QIV | 0.74 | ![]() | |
LDP![]() | L-DOPAMINE | A,B | 2A3R | 0.76 | ![]() |
LDP![]() | L-DOPAMINE | A | 5PAH | 0.76 | ![]() |
LDP![]() | L-DOPAMINE | A,B | 2QMZ | 0.76 | ![]() |
LDP![]() | L-DOPAMINE | A,B | 2VQ5 | 0.76 | ![]() |
CTX![]() | (Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)- PHENOXY]-N,N-DIMETHYLETHANAMINE | A,B,C | 1YA4 | 0.72 | ![]() |
DR6![]() | ALPHA-[4-(1,1,3,3 - TETRAMETHYLBUTYL)PHENYL]- OMEGA-HYDROXY-POLY(OXY-1,2-ETHANEDIYL) | C,I,T | 1YTZ | 0.7 | ![]() |
TXF![]() | (Z)-4-(1-{4-[2-(DIMETHYLAMINO)ETHOXY]PHENYL}- 5-HYDROXY-2-PHENYLPENT-1-ENYL)PHENOL | A,B,C,D,E | 2EWP | 0.7 | ![]() |
AED![]() | 4-(2-aminoethyl)-2-cyclohexylphenol | A | 3BUH | 0.78 | ![]() |
AEF![]() | 4-(2-aminoethyl)phenol | A | 3BRA | 0.75 | ![]() |
PZM![]() | 1-(4-METHOXYPHENYL)METHANAMINE | A,D,H | 2HJB | 0.84 | ![]() |
ROL![]() | ROLIPRAM | A,B,C,D | 1OYN | 0.73 | ![]() |
ROL![]() | ROLIPRAM | A,B | 1XMY | 0.73 | ![]() |
ROL![]() | ROLIPRAM | A,B,C,D | 1Q9M | 0.73 | ![]() |
ROL![]() | ROLIPRAM | A,B | 1RO6 | 0.73 | ![]() |
ROL![]() | ROLIPRAM | A,B | 1XN0 | 0.73 | ![]() |
ROL![]() | ROLIPRAM | A,B | 1TBB | 0.73 | ![]() |
505![]() | (2R)-1-(2,6-dimethylphenoxy)propan- 2-amine | A | 2VIN | 0.8 | ![]() |
3MB![]() | 3-METHOXYBENZAMIDE | A | 3PAX | 0.74 | ![]() |
P12![]() | 4-[AMINO(IMINO)METHYL]-1-[2-(3- AMMONIOPROPOXY)-5-METHOXYBENZYL]PIPERAZIN- 1-IUM | B | 1UUI | 0.74 | ![]() |
EIN![]() | A | 1ZS0 | 0.73 | ![]() | |
IPB![]() | 5-METHYL-2-(1-METHYLETHYL)PHENOL | A,B | 1E06 | 0.71 | ![]() |
296![]() | (3R)-3-amino-2,2-difluoro-3-(4- methoxyphenyl)propanoic acid | A,B | 2RJS | 0.72 | ![]() |
P14![]() | N-[2-(2-{[(4-{[AMINO(IMINO)METHYL]AMINO}BUTYL)AMINO]METHYL}- 4-METHOXYPHENOXY)ETHYL]GUANIDINE | B | 1UUD | 0.76 | ![]() |
FIN![]() | A | 1ZVX | 0.73 | ![]() | |
HV7![]() | 1-METHYLAMINE-2-HYDROXY-4-METHOXY- BENZENE | C | 1A8G | 0.78 | ![]() |
SNP![]() | 1-(ISOPROPYLAMINO)-3-(1-NAPHTHYLOXY)- 2-PROPANOL | A | 1DY4 | 0.72 | ![]() |
ALE![]() | L-EPINEPHRINE | A | 3PAH | 0.71 | ![]() |
ALE![]() | L-EPINEPHRINE | A | 2HKK | 0.71 | ![]() |
EGC![]() | 2-(2-{2-[2-(2-{2-[2-(2-{2-[4-(1,1,3,3- TETRAMETHYL-BUTYL)-PHENOXY]-ETHOXY}- ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)- ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL | A,B | 1JP3 | 0.71 | ![]() |
EGC![]() | 2-(2-{2-[2-(2-{2-[2-(2-{2-[4-(1,1,3,3- TETRAMETHYL-BUTYL)-PHENOXY]-ETHOXY}- ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)- ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL | A | 2W22 | 0.71 | ![]() |
TAX![]() | (Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)- PHENOXY]-N,N-DIMETHYLETHANAMINIUM | A | 1FJ5 | 0.75 | ![]() |