Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02093148
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 |
183 | 1-((2-HYDROXYETHOXY)METHYL)-5-(3- (BENZYLOXY)BENZYL)PYRIMIDINE-2,4(1H,3H)- DIONE | A,B,C,D,E,F | 1U1F | 0.71 | |
1NH | (2E,6E)-8-[(3-BENZOYLBENZYL)OXY]- 3,7-DIMETHYLOCTA-2,6-DIENYL TRIHYDROGEN DIPHOSPHATE | B | 1O1S | 0.72 | |
R88 | (4-BROMOPHENYL)[4-({(2E)-4-[CYCLOPROPYL(METHYL)AMINO]BUT- 2-ENYL}OXY)PHENYL]METHANONE | A,B,C | 1H36 | 0.83 | |
SWF | S-WARFARIN | A,B | 1OG5 | 0.71 | |
BZF | BENZOFURAN | A | 182L | 0.71 | |
AGI | 5,7-dihydroxy-2-(4-hydroxyphenyl)- 4H-chromen-4-one | A,B,C,D,E,F | 3CF9 | 0.71 | |
SB8 | 2-(3-BENZOYLPHENOXY)ETHYL(HYDROXY)FORMAMIDE | A | 2AIA | 0.8 | |
NBF | [(2-ETHOXY-1-NAPHTHOYL)AMINO]METHYLBORONIC ACID | A | 1NY0 | 0.71 | |
NBF | [(2-ETHOXY-1-NAPHTHOYL)AMINO]METHYLBORONIC ACID | A,B | 1YMS | 0.71 | |
VXX | VANILLATE | A,B | 1WB6 | 0.7 | |
R02 | {4-[((1S,2S)-2-{[ALLYL(CYCLOPROPYL)AMINO]METHYL}CYCLOPROPYL)METHOXY]PHENYL}(4- BROMOPHENYL)METHANONE | A,B,C | 1H37 | 0.78 | |
AC6 | P-HYDROXYACETOPHENONE | A | 2GQ8 | 0.74 | |
AC6 | P-HYDROXYACETOPHENONE | X | 2O48 | 0.74 | |
NRO | 3-[5-(2-nitropent-1-en-1-yl)furan- 2-yl]benzoic acid | A,B | 2ZK5 | 0.7 | |
BVL | (2E)-1-[2-hydroxy-4-methoxy-5-(3- methylbut-2-en-1-yl)phenyl]-3-(4- hydroxyphenyl)prop-2-en-1-one | A | 2ZBH | 0.79 | |
C27 | (6R)-2-amino-6-[2-(3'-methoxybiphenyl- 3-yl)ethyl]-3,6-dimethyl-5,6-dihydropyrimidin- 4(3H)-one | A | 2VA7 | 0.7 | |
FLN | 2-PHENYL-4H-CHROMEN-4-ONE | A | 2G0L | 0.77 | |
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 | |
MPB | 4-HYDROXY-BENZOIC ACID METHYL ESTER | B,C,D | 2VK0 | 0.74 | |
MPB | 4-HYDROXY-BENZOIC ACID METHYL ESTER | A,B,D | 3MTH | 0.74 | |
VNL | 4-HYDROXY-3-METHOXYBENZOATE | A,B,C,D | 2AHC | 0.7 | |
VNL | 4-HYDROXY-3-METHOXYBENZOATE | A | 1XLR | 0.7 | |
ANN | 4-METHOXYBENZOIC ACID | A | 2B96 | 0.78 | |
ANN | 4-METHOXYBENZOIC ACID | A | 2QUE | 0.78 | |
ANN | 4-METHOXYBENZOIC ACID | A | 1SV3 | 0.78 | |
ANN | 4-METHOXYBENZOIC ACID | A | 1O2E | 0.78 | |
ANN | 4-METHOXYBENZOIC ACID | A,B,C,D | 3CBI | 0.78 | |
BRK | {(2Z)-4-AMINO-2-[(4-METHOXYPHENYL)IMINO]- 2,3-DIHYDRO-1,3-THIAZOL-5-YL}(4- METHOXYPHENYL)METHANONE | A | 2IZR | 0.71 | |
ZHH | 2-(4-METHOXYPHENYL)ETHANAMINE | D,H | 2HKR | 0.71 | |
DTC | BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2- BENZOPYRONE] | A | 2Z9C | 0.73 | |
DTC | BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2- BENZOPYRONE] | A,B | 1OOQ | 0.73 | |
DTC | BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2- BENZOPYRONE] | A,B,C,D,E,F, G,H | 2F1O | 0.73 | |
BZM | BENZOIC ACID PHENYLMETHYLESTER | A,B | 1DZM | 0.7 | |
RFX | (3R)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan- 1-amine | A | 3GWV | 0.71 | |
TOM | 4-(2-METHOXYPHENYL)-2-OXOBUT-3- ENOIC ACID | A | 2IMF | 0.71 | |
DFV | 7-HYDROXY-2-(4-HYDROXY-PHENYL)- CHROMAN-4-ONE | B,C | 1JX1 | 0.72 | |
DFV | 7-HYDROXY-2-(4-HYDROXY-PHENYL)- CHROMAN-4-ONE | A,B | 1JX0 | 0.72 | |
DFV | 7-HYDROXY-2-(4-HYDROXY-PHENYL)- CHROMAN-4-ONE | A,B | 1FM7 | 0.72 | |
NAR | NARINGENIN | A,B | 2UXU | 0.72 | |
NAR | NARINGENIN | A | 2BRT | 0.72 | |
NAR | NARINGENIN | A | 1CGK | 0.72 | |
NAR | NARINGENIN | A,B | 1EYQ | 0.72 | |
ZHZ | 2-(4-METHOXYPHENYL)ACETAMIDE | D,H | 2HKR | 0.76 | |
HMO | 4'-HYDROXY-7-METHOXYISOFLAVONE | A | 1FP2 | 0.75 | |
GEN | GENISTEIN | A | 1QKM | 0.74 | |
GEN | GENISTEIN | A,B | 1X7J | 0.74 | |
GEN | GENISTEIN | A,B | 2QA8 | 0.74 | |
GEN | GENISTEIN | A | 1X7R | 0.74 | |
SFX | (3S)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan- 1-amine | A | 3GWW | 0.71 | |
CTX | (Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)- PHENOXY]-N,N-DIMETHYLETHANAMINE | A,B,C | 1YA4 | 0.77 | |
DBE | bis(4-hydroxyphenyl)methanone | A | 2VKU | 0.77 | |
BHF | 2-PHENYL-4H-BENZO[H]CHROMEN-4-ONE | A | 2HI4 | 0.71 | |
V55 | 4-hydroxy-3-methoxybenzaldehyde | B,D,E,F | 2VSS | 0.72 | |
V55 | 4-hydroxy-3-methoxybenzaldehyde | A,B,D,E,F | 2VSU | 0.72 | |
R17 | ALLYL-{4-[3-(4-BROMO-PHENYL)-BENZOFURAN- 6-YLOXY]-BUT-2-ENYL}-METHYL-AMINE | A,B,C | 1O6Q | 0.72 | |
R71 | [4-({6-[ALLYL(METHYL)AMINO]HEXYL}OXY)- 2-FLUOROPHENYL](4-BROMOPHENYL)METHANONE | A | 1W6J | 0.82 | |
R71 | [4-({6-[ALLYL(METHYL)AMINO]HEXYL}OXY)- 2-FLUOROPHENYL](4-BROMOPHENYL)METHANONE | A,B,C | 1GSZ | 0.82 | |
D18 | 2,5-BIS{[4-(N-ISOPROPYL)DIAMINOMETHYL]PHENYL}FURAN | B | 298D | 0.71 | |
K55 | (2S)-2-{4-butoxy-3-[({[2-fluoro- 4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]benzyl}butanoic acid | A,B | 2ZNP | 0.71 | |
LZP | 4,4'-piperazine-1,4-diylbis{1-[3- (benzyloxy)phenyl]-4-oxobutane- 1,3-dione} | A | 3EAX | 0.72 | |
AI7 | 3-(heptyloxy)benzoic acid | A,B | 2O3Z | 0.73 | |
SAK | (2S)-5-hydroxy-2-(4-hydroxyphenyl)- 7-methoxy-2,3-dihydro-4H-chromen- 4-one | A,B,C,D,E,F | 3D04 | 0.73 | |
LOB | LOBELINE | A,B,C,D,E,F, G,H,I,J | 2BYS | 0.72 | |
RWF | R-WARFARIN | A,B | 2BXD | 0.71 | |
3MB | 3-METHOXYBENZAMIDE | A | 3PAX | 0.74 | |
G50 | 3-(4-HYDROXYPHENYL)-1-(2,4,6-TRIHYDROXYPHENYL)PROPAN- 1-ONE | A,B | 2UXI | 0.7 | |
E20 | 1-BENZYL-4-[(5,6-DIMETHOXY-1-INDANON- 2-YL)METHYL]PIPERIDINE | A | 1EVE | 0.79 | |
TAX | (Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)- PHENOXY]-N,N-DIMETHYLETHANAMINIUM | A | 1FJ5 | 0.74 | |
L41 | {4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenoxy}acetic acid | A,B | 3D5F | 0.71 | |
886 | N-({4'-[(4-isobutyrylphenoxy)methyl]biphenyl- 4-yl}sulfonyl)-D-valine | A,B,C,D | 2RJP | 0.72 | |
MTJ | N,O-DIMETHYL-L-TYROSINE | A,B | 1ATL | 0.71 | |
LY2 | 2-MORPHOLIN-4-YL-7-PHENYL-4H-CHROMEN- 4-ONE | A | 1YI3 | 0.81 | |
LY2 | 2-MORPHOLIN-4-YL-7-PHENYL-4H-CHROMEN- 4-ONE | A | 1E7V | 0.81 | |
DDC | 7-HYDROXY-2-PHENYL-CHROMAN-4-ONE | A,B | 1FM8 | 0.73 | |
4MP | 1-(4-METHOXYBENZOYL)-2-PYRROLIDINONE | A,B | 2AL5 | 0.77 | |
NPS | (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid | A | 2VDB | 0.72 | |
QSO | 5,7-dihydroxy-3-(4-methoxyphenyl)- 4H-chromen-4-one | A,B | 2QYO | 0.75 | |
DFL | 2-(4-HYDROXY-PHENYL)-CHROMAN-4- ONE | A,B | 1JEP | 0.74 | |
TXF | (Z)-4-(1-{4-[2-(DIMETHYLAMINO)ETHOXY]PHENYL}- 5-HYDROXY-2-PHENYLPENT-1-ENYL)PHENOL | A,B,C,D,E | 2EWP | 0.74 | |
AIN | 2-(ACETYLOXY)BENZOIC ACID | A | 3GCL | 0.7 | |
AIN | 2-(ACETYLOXY)BENZOIC ACID | A | 2QQT | 0.7 | |
AIN | 2-(ACETYLOXY)BENZOIC ACID | A | 1TGM | 0.7 | |
AIN | 2-(ACETYLOXY)BENZOIC ACID | A | 2G5J | 0.7 | |
AIN | 2-(ACETYLOXY)BENZOIC ACID | A | 1OXR | 0.7 | |
AIN | 2-(ACETYLOXY)BENZOIC ACID | A | 3HWY | 0.7 | |
GRR | (2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acid | A | 3CDS | 0.72 | |
R19 | ALLYL-{6-[3-(4-BROMO-PHENYL)-BENZOFURAN- 6-YLOXY]-HEXYL-}-METHYL-AMIN | A,B,C | 1O6R | 0.71 | |
401 | (2S)-2-{3-[({[2-fluoro-4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]- 4-methoxybenzyl}butanoic acid | A,B | 2ZNQ | 0.73 | |
HCC | 2',4,4'-TRIHYDROXYCHALCONE | D | 1FP1 | 0.7 |