Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02245123
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 |
G24 | [4-(3-BENZYL-4-HYDROXYBENZYL)-3,5- DIMETHYLPHENOXY]ACETIC ACID | A | 1Q4X | 0.73 | |
NOA | NAPHTHYLOXYACETIC ACID | A,B,I | 1HIV | 0.71 | |
NOA | NAPHTHYLOXYACETIC ACID | I | 1IVP | 0.71 | |
OST | METHYL (2Z)-3-METHOXY-2-{2-[(E)- 2-PHENYLVINYL]PHENYL}ACRYLATE | C,D,E | 1SQQ | 0.78 | |
BFL | A,B | 1Q4G | 0.71 | ||
S1A | SORAPHEN A | A,B | 3GID | 0.75 | |
S1A | SORAPHEN A | A,B,C | 1W96 | 0.75 | |
PFI | (6S)-6-CYCLOPENTYL-6-[2-(3-FLUORO- 4-ISOPROPOXYPHENYL)ETHYL]-4-HYDROXY- 5,6-DIHYDRO-2H-PYRAN-2-ONE | A | 2HAI | 0.73 | |
SEM | 3-AMINO-4-OXYBENZYL-2-BUTANONE | A,B | 1THE | 0.71 | |
FFD | (1R)-1,4-anhydro-2-deoxy-1-(3-fluorophenyl)- 5-O-phosphono-D-erythro-pentitol | A,B,C,D,E,F, G,H,I,J,K,L | 2PIS | 0.72 | |
295 | (2S,3S)-3-(4-fluorophenyl)-2,3- dihydroxypropanoic acid | A,B | 2RJR | 0.71 | |
PYY | D-RIBOFURANOSYL-BENZENE-5'-MONOPHOSPHATE | A | 1G2J | 0.73 | |
AZ2 | (2S)-2-ETHOXY-3-[4-(2-{4-[(METHYLSULFONYL)OXY]PHENYL}ETHOXY)PHENYL]PROPANOIC ACID | A,B | 1I7I | 0.73 | |
AZ2 | (2S)-2-ETHOXY-3-[4-(2-{4-[(METHYLSULFONYL)OXY]PHENYL}ETHOXY)PHENYL]PROPANOIC ACID | A | 1I7G | 0.73 | |
2DM | 2-HYDROXY-3-(PYREN-1-YLMETHOXY)PROPYL DIHYDROGEN PHOSPHATE | A,B | 1S88 | 0.73 | |
SS1 | 1-PHENYLETHANOL | H | 1UM5 | 0.74 | |
FL2 | FLURBIPROFEN METHYL ESTER | A,B | 1HT5 | 0.74 | |
TON | 2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOL | A,B | 1SEZ | 0.72 | |
GRR | (2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acid | A | 3CDS | 0.76 | |
NF2 | (1S)-1,4-ANHYDRO-1-(2,4-DIFLUORO- 5-METHYLPHENYL)-5-O-PHOSPHONO-D- RIBITOL | A,B | 2G92 | 0.7 | |
NF2 | (1S)-1,4-ANHYDRO-1-(2,4-DIFLUORO- 5-METHYLPHENYL)-5-O-PHOSPHONO-D- RIBITOL | A,B,C,D | 2Q1O | 0.7 | |
NDH | (1R, 2S)-CIS 1,2 DIHYDROXY-1,2- DIHYDRONAPHTHALENE | A,B | 1O7P | 0.72 | |
ODE | DIETHYL (1R,2S,3R,4S)-5,6-BIS(4- HYDROXYPHENYL)-7-OXABICYCLO[2.2.1]HEPT- 5-ENE-2,3-DICARBOXYLATE | A,B | 2QH6 | 0.71 | |
SMN | (S)-MANDELIC ACID | A | 1MDL | 0.73 | |
APG | ATROLACTIC ACID (2-PHENYL-LACTIC ACID) | A | 1MRA | 0.72 | |
APG | ATROLACTIC ACID (2-PHENYL-LACTIC ACID) | A | 1MNS | 0.72 | |
APG | ATROLACTIC ACID (2-PHENYL-LACTIC ACID) | A | 1DTN | 0.72 | |
APG | ATROLACTIC ACID (2-PHENYL-LACTIC ACID) | A | 1MDR | 0.72 | |
DFA | DIPHENYLACETIC ACID | A,B,C | 1GMY | 0.71 | |
UIN | 5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY- 3-(1-PHENYLPROPYL)CYCLOOCTA[B]PYRAN- 2-ONE | B | 5UPJ | 0.72 | |
1NH | (2E,6E)-8-[(3-BENZOYLBENZYL)OXY]- 3,7-DIMETHYLOCTA-2,6-DIENYL TRIHYDROGEN DIPHOSPHATE | B | 1O1S | 0.75 | |
TRT | FRAGMENT OF TRITON X-100 | A,E | 2I0U | 0.75 | |
TRT | FRAGMENT OF TRITON X-100 | A,B | 1OIZ | 0.75 | |
ZZ1 | 4-METHYL-2H-CHROMEN-2-ONE | A | 2CIP | 0.72 | |
LRG | (2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid | A | 3B3K | 0.73 | |
LRG | (2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid | A | 3D6D | 0.73 | |
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 | |
5PP | 5-PENTYL-2-PHENOXYPHENOL | A,B,C,D,E,F | 2B36 | 0.7 | |
HZ3 | dimethyl (1R,4S)-5,6-bis(4-hydroxyphenyl)- 7-oxabicyclo[2.2.1]hepta-2,5-diene- 2,3-dicarboxylate | A,B | 2QR9 | 0.72 | |
8PS | 5-OCTYL-2-PHENOXYPHENOL | A,B,C,D,E,F | 2B37 | 0.7 | |
959 | benzyl (2-oxopropyl)carbamate | A | 3D62 | 0.7 | |
HXS | 4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenol | A,B | 3CV6 | 0.7 | |
DES | DIETHYLSTILBESTROL | A,B,C,D | 1S9P | 0.71 | |
DES | DIETHYLSTILBESTROL | A,B | 3ERD | 0.71 | |
DES | DIETHYLSTILBESTROL | A,B | 1TT6 | 0.71 | |
DES | DIETHYLSTILBESTROL | A,B,C,D | 1TZ8 | 0.71 | |
PHQ | FORMIC ACID BENZYL ESTER | A,I | 2F4O | 0.81 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1KJO | 0.81 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2CDR | 0.81 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2C1E | 0.81 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 5PAD | 0.81 | |
PHQ | FORMIC ACID BENZYL ESTER | E,F | 1JXQ | 0.81 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 2CNO | 0.81 | |
PHQ | FORMIC ACID BENZYL ESTER | A,B | 1CGL | 0.81 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2AZ9 | 0.81 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2C2K | 0.81 | |
PHQ | FORMIC ACID BENZYL ESTER | A,I | 2CNL | 0.81 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1KJP | 0.81 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2C2M | 0.81 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2AZB | 0.81 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 9HVP | 0.81 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1ESB | 0.81 | |
PHQ | FORMIC ACID BENZYL ESTER | E,F | 1DY8 | 0.81 | |
PHQ | FORMIC ACID BENZYL ESTER | E,I | 1PPM | 0.81 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 1GEC | 0.81 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1KS7 | 0.81 | |
PHQ | FORMIC ACID BENZYL ESTER | C | 1A8G | 0.81 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1KKK | 0.81 | |
PHQ | FORMIC ACID BENZYL ESTER | T,U,V,W,X,Y | 1QDU | 0.81 | |
PHQ | FORMIC ACID BENZYL ESTER | E,I | 4TMN | 0.81 | |
PHQ | FORMIC ACID BENZYL ESTER | E,I | 5TMN | 0.81 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1KTO | 0.81 | |
PHQ | FORMIC ACID BENZYL ESTER | A,C | 1TG1 | 0.81 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2AZ8 | 0.81 | |
PHQ | FORMIC ACID BENZYL ESTER | A,B | 2G58 | 0.81 | |
PHQ | FORMIC ACID BENZYL ESTER | Q,R,S,T,U,V | 1F9E | 0.81 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2CJY | 0.81 | |
PHQ | FORMIC ACID BENZYL ESTER | A,I | 1E8M | 0.81 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1KR6 | 0.81 | |
PHQ | FORMIC ACID BENZYL ESTER | E,I | 6TMN | 0.81 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1KRO | 0.81 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2CNN | 0.81 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2C2O | 0.81 | |
PHQ | FORMIC ACID BENZYL ESTER | A,B | 1SQZ | 0.81 | |
PHQ | FORMIC ACID BENZYL ESTER | A,B | 1THE | 0.81 | |
PHQ | FORMIC ACID BENZYL ESTER | I,J | 2AZC | 0.81 | |
PHQ | FORMIC ACID BENZYL ESTER | E,I | 5EST | 0.81 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2CNK | 0.81 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1KL6 | 0.81 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 6PAD | 0.81 | |
PHQ | FORMIC ACID BENZYL ESTER | B,I | 2C2Z | 0.81 | |
PPP | 3-PHENYL-1,2-PROPANDIOL | A,B | 1HRN | 0.71 | |
OBZ | O-benzylhydroxylamine | A,B | 3DTH | 0.7 | |
OBZ | O-benzylhydroxylamine | A,B | 3DTG | 0.7 | |
NIU | 6,7,8,9-TETRAHYDRO-4-HYDROXY-3- (1-PHENYLPROPYL)CYCLOHEPTA[B]PYRAN- 2-ONE | A | 6UPJ | 0.72 | |
2PM | N-[2-(BENZHYDRYLOXY)ETHYL]-N,N- DIMETHYLAMINE | A,B | 2AOT | 0.8 | |
MAX | MATAIRESINOL | A | 2BGM | 0.72 | |
DR6 | ALPHA-[4-(1,1,3,3 - TETRAMETHYLBUTYL)PHENYL]- OMEGA-HYDROXY-POLY(OXY-1,2-ETHANEDIYL) | C,I,T | 1YTZ | 0.7 | |
RSO | R-STYRENE OXIDE | A,B | 1PWZ | 0.8 | |
L79 | (S)-(2E)-3[4-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-2-NAPHTHALENYL)TETRAHYDRO- 1-BENZOFURAN-2-YL]-2-PROPENOIC ACID | A,D | 1RDT | 0.73 | |
RMN | (R)-MANDELIC ACID | A | 1MDL | 0.73 | |
RMN | (R)-MANDELIC ACID | A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P | 1MCZ | 0.73 | |
PYP | 2'-DEOXYRIBOFURANOSYLPYRENE-5'- MONOPHOSPHATE | A,B | 1FZS | 0.7 | |
PYP | 2'-DEOXYRIBOFURANOSYLPYRENE-5'- MONOPHOSPHATE | A,B | 1FZL | 0.7 | |
HFA | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | 0,1,3,4,5,9, A,B,C,H,J,K, L,M,N,O,Q,R, S,T,U,Y,Z | 1VQ6 | 0.71 | |
HFA | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | A,B | 1C1X | 0.71 | |
HFA | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | 0,1,3,4,9,A, B,C,D,F,H,J, K,L,M,N,O,Q, R,S,T,U,Y,Z | 1VQP | 0.71 | |
HFA | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | 0,1,2,3,4,5, 9,A,B,C,D,F, H,J,K,L,M,N, O,Q,R,S,T,U, Y,Z | 1VQN | 0.71 | |
HFA | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | I | 1QRP | 0.71 | |
HFA | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | A | 2CTC | 0.71 | |
HFA | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | I | 1E82 | 0.71 | |
HFA | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | I | 1E81 | 0.71 | |
GW5 | (2E)-3-{4-[(1E)-1,2-DIPHENYLBUT- 1-ENYL]PHENYL}ACRYLIC ACID | A,B,C | 1R5K | 0.7 | |
BGG | CARBONIC ACID MONOBENZYL ESTER | B,D | 1DLK | 0.79 | |
SS2 | (1R)-1-PHENYLETHANOL | A | 1ZK0 | 0.74 | |
SS2 | (1R)-1-PHENYLETHANOL | A | 1ZJZ | 0.74 | |
SS2 | (1R)-1-PHENYLETHANOL | A | 1ZJY | 0.74 | |
BZM | BENZOIC ACID PHENYLMETHYLESTER | A,B | 1DZM | 0.79 | |
SB3 | 1,3-DIPHENYL-1-PROPYL-1-(3,3-DIMETHYL- 1,2-DIOXYPENTYL)-2-PIPERIDINE CARBOXYLATE | A | 1FKG | 0.71 | |
12M | (2-ETHYLPHENYL)METHANOL | A,B | 2F62 | 0.7 | |
MPP | 3-(3,4-DIMETHOXYPHENYL)PROPIONIC ACID | A,B | 2AY3 | 0.71 | |
DFT | 1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO- 5-METHYL-BENZENE-5'MONOPHOSPHATE | A | 1BW7 | 0.71 | |
DFT | 1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO- 5-METHYL-BENZENE-5'MONOPHOSPHATE | A,T | 2VA3 | 0.71 | |
DFT | 1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO- 5-METHYL-BENZENE-5'MONOPHOSPHATE | A,B,D,F | 2V9W | 0.71 | |
DFT | 1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO- 5-METHYL-BENZENE-5'MONOPHOSPHATE | A,B,D,E,F | 2VA2 | 0.71 | |
DFT | 1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO- 5-METHYL-BENZENE-5'MONOPHOSPHATE | 1,2 | 1EEK | 0.71 | |
TF5 | 2-[(2',3',4'-TRIFLUOROBIPHENYL- 2-YL)OXY]ETHANOL | A,B | 2OP3 | 0.71 | |
H53 | 2-(2,5-DIHYDROXYPHENYL)-6-(HYDROXYMETHYL)OXANE- 3,4,5-TRIOL | A | 2FF5 | 0.71 | |
H53 | 2-(2,5-DIHYDROXYPHENYL)-6-(HYDROXYMETHYL)OXANE- 3,4,5-TRIOL | A | 2FET | 0.71 | |
OPH | 2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTER | E,I | 1PPM | 0.74 | |
OPH | 2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTER | E,I | 1PPL | 0.74 | |
BM6 | 4-[2-(5,5,8,8-TETRAMETHYL-5,6,7,8- TETRAHYDRO-NAPHTHALEN-2-YL)-[1,3]DIOXOLAN- 2-YL]-BENZOIC ACID | A | 1MVC | 0.76 | |
BM6 | 4-[2-(5,5,8,8-TETRAMETHYL-5,6,7,8- TETRAHYDRO-NAPHTHALEN-2-YL)-[1,3]DIOXOLAN- 2-YL]-BENZOIC ACID | A,C,E,G | 1MZN | 0.76 | |
DBA | (2,6-DIMETHYL-PHENOXY)-ACETIC ACID | A,B | 1IDB | 0.75 | |
YR3 | (2S)-3-{4-[1-ethyl-1-(4-{[(2R)- 2-hydroxy-3,3-dimethylbutyl]oxy}- 3-methylphenyl)propyl]-2-methylphenoxy}propane- 1,2-diol | A | 2ZFX | 0.73 | |
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 | |
OX1 | H,Y | 1LO2 | 0.7 |