Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02709967
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 |
8PS | 5-OCTYL-2-PHENOXYPHENOL | A,B,C,D,E,F | 2B37 | 0.81 | |
5PP | 5-PENTYL-2-PHENOXYPHENOL | A,B,C,D,E,F | 2B36 | 0.81 | |
HXS | 4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenol | A,B | 3CV6 | 0.71 | |
DES | DIETHYLSTILBESTROL | A,B,C,D | 1S9P | 0.7 | |
DES | DIETHYLSTILBESTROL | A,B | 3ERD | 0.7 | |
DES | DIETHYLSTILBESTROL | A,B | 1TT6 | 0.7 | |
DES | DIETHYLSTILBESTROL | A,B,C,D | 1TZ8 | 0.7 | |
2NI | N-{2-[(4'-CYANO-1,1'-BIPHENYL-4- YL)OXY]ETHYL}-N'-HYDROXY-N-METHYLUREA | A | 1ZP5 | 0.74 | |
TXF | (Z)-4-(1-{4-[2-(DIMETHYLAMINO)ETHOXY]PHENYL}- 5-HYDROXY-2-PHENYLPENT-1-ENYL)PHENOL | A,B,C,D,E | 2EWP | 0.71 | |
TON | 2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOL | A,B | 1SEZ | 0.75 | |
MPP | 3-(3,4-DIMETHOXYPHENYL)PROPIONIC ACID | A,B | 2AY3 | 0.75 | |
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 | 0.73 | |
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 | 2W22 | 0.73 | |
FIL | (1E)-1-[3-(CYCLOPENTYLOXY)-4-METHOXYPHENYL]ETHANONE O- (AMINOCARBONYL)OXIME | A,B | 1XLZ | 0.7 | |
HFL | 5-(3,3-DIHYDROXYPROPENY)-3-METHOXY- BENZENE-1,2-DIOL | C,F | 1KYW | 0.7 | |
ZZ1 | 4-METHYL-2H-CHROMEN-2-ONE | A | 2CIP | 0.71 | |
RNP | (1E,2R)-1-(ISOPROPYLIMINO)-3-(1- NAPHTHYLOXY)PROPAN-2-OL | X | 1H46 | 0.7 | |
DBA | (2,6-DIMETHYL-PHENOXY)-ACETIC ACID | A,B | 1IDB | 0.71 | |
B76 | A,B | 2E9D | 0.72 | ||
IPB | 5-METHYL-2-(1-METHYLETHYL)PHENOL | A,B | 1E06 | 0.7 | |
OXN | OXTOXYNOL-10 | A | 1IKT | 0.73 | |
OXN | OXTOXYNOL-10 | A,B | 2Q32 | 0.73 | |
OXN | OXTOXYNOL-10 | A,B | 1UEH | 0.73 | |
OXN | OXTOXYNOL-10 | A,B | 2D4Q | 0.73 | |
MBD | 3-METHYLCATECHOL | A | 1KNF | 0.7 | |
BP7 | 1,1'-BIPHENYL-3,4-DIOL | A | 2EI0 | 0.72 | |
NPS | (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid | A | 2VDB | 0.71 | |
BPY | BIPHENYL-2,3-DIOL | A | 1KMY | 0.74 | |
BPY | BIPHENYL-2,3-DIOL | B | 1KW8 | 0.74 | |
BPY | BIPHENYL-2,3-DIOL | A | 2EI3 | 0.74 | |
BPY | BIPHENYL-2,3-DIOL | A | 1EIR | 0.74 | |
BPY | BIPHENYL-2,3-DIOL | B | 1KW6 | 0.74 | |
BPY | BIPHENYL-2,3-DIOL | B | 1KWC | 0.74 | |
BPY | BIPHENYL-2,3-DIOL | B | 1KW9 | 0.74 | |
EUG | 2-METHOXY-4-VINYL-PHENOL | A | 2QU9 | 0.78 | |
EUG | 2-METHOXY-4-VINYL-PHENOL | A,B | 1QLU | 0.78 | |
EUG | 2-METHOXY-4-VINYL-PHENOL | A,B | 1W1J | 0.78 | |
EUG | 2-METHOXY-4-VINYL-PHENOL | A,B | 2VAO | 0.78 | |
EUG | 2-METHOXY-4-VINYL-PHENOL | A,B | 1W1K | 0.78 | |
EUG | 2-METHOXY-4-VINYL-PHENOL | A,B | 1DZN | 0.78 | |
EUG | 2-METHOXY-4-VINYL-PHENOL | A,B | 1W1L | 0.78 | |
EUG | 2-METHOXY-4-VINYL-PHENOL | A,B | 1W1M | 0.78 | |
CTF | (17beta)-17-(cyanomethyl)-2-methoxyestra- 1(10),2,4-trien-3-yl sulfamate | A | 3BET | 0.8 | |
JT6 | 3-[(4'-cyanobiphenyl-4-yl)oxy]- N-hydroxypropanamide | A | 2JT6 | 0.77 | |
OHT | 4-HYDROXYTAMOXIFEN | A | 3ERT | 0.71 | |
OHT | 4-HYDROXYTAMOXIFEN | A,B | 1S9Q | 0.71 | |
OHT | 4-HYDROXYTAMOXIFEN | A,B | 1VJB | 0.71 | |
OHT | 4-HYDROXYTAMOXIFEN | A,B,C,P,R | 2JF9 | 0.71 | |
OHT | 4-HYDROXYTAMOXIFEN | A,B,C,D,E,F | 2GPV | 0.71 | |
OHT | 4-HYDROXYTAMOXIFEN | A | 2GPU | 0.71 | |
OHT | 4-HYDROXYTAMOXIFEN | A | 2P7Z | 0.71 | |
OHT | 4-HYDROXYTAMOXIFEN | A,B | 2BJ4 | 0.71 | |
OHT | 4-HYDROXYTAMOXIFEN | A,B | 2FSZ | 0.71 | |
ESM | 1,3,5(10)-ESTRATRIEN-2,3,17-BETA- TRIOL 2-METHYL ETHER | A | 1LHW | 0.72 | |
PO1 | (9BETA,13ALPHA,14BETA,17ALPHA)- 2-METHOXYESTRA-1,3,5(10)-TRIENE- 3,17-DIYL DISULFAMATE | A | 2GD8 | 0.74 | |
196 | 3-(3-FLUORO-4-HYDROXYPHENYL)-7- HYDROXY-1-NAPHTHONITRILE | A,B | 1YYE | 0.71 | |
EGT | 2-(3,4,5-TRIHYDROXY-PHENYL)-CHROMAN- 3,5,7-TRIOL | A | 1JNQ | 0.7 | |
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 | 0.72 | |
TAX | (Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)- PHENOXY]-N,N-DIMETHYLETHANAMINIUM | A | 1FJ5 | 0.7 | |
TRT | FRAGMENT OF TRITON X-100 | A,E | 2I0U | 0.76 | |
TRT | FRAGMENT OF TRITON X-100 | A,B | 1OIZ | 0.76 | |
NOA | NAPHTHYLOXYACETIC ACID | A,B,I | 1HIV | 0.72 | |
NOA | NAPHTHYLOXYACETIC ACID | I | 1IVP | 0.72 | |
3TN | (2E)-3-[4-HYDROXY-3-(3-METHOXY- 5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN- 2-YL)PHENYL]ACRYLIC ACID | A | 2P1T | 0.71 | |
ZHH | 2-(4-METHOXYPHENYL)ETHANAMINE | D,H | 2HKR | 0.72 | |
4FE | (2E)-3-(3-hydroxy-4-methoxyphenyl)prop- 2-enoic acid | A | 3CBG | 0.73 | |
BYS | 2-BENZO[1,3]DIOXOL-5-YLMETHYL-3- BENZYL-SUCCINIC ACID | A,B | 1JJE | 0.71 | |
CMZ | (2S)-1-(2,5-dimethylphenoxy)-3- morpholin-4-ylpropan-2-ol | A | 2OF0 | 0.71 | |
BR3 | (6-METHYL-3,4-DIHYDRO-2H-CHROMEN- 2-YL)METHYLPHOSPHINATE | A | 1PE5 | 0.71 | |
G24 | [4-(3-BENZYL-4-HYDROXYBENZYL)-3,5- DIMETHYLPHENOXY]ACETIC ACID | A | 1Q4X | 0.71 | |
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 | 0.75 | |
FER | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A,C,E | 1KYZ | 0.73 | |
FER | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 1JT2 | 0.73 | |
FER | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 6ATJ | 0.73 | |
FER | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A,B | 1GKL | 0.73 | |
FER | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 1GWT | 0.73 | |
FER | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A,B,C | 2BJH | 0.73 | |
FER | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 1GW2 | 0.73 | |
FER | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 3CBG | 0.73 | |
FER | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 2BNJ | 0.73 | |
FER | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A,B | 1UWC | 0.73 | |
FER | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 7ATJ | 0.73 | |
TF5 | 2-[(2',3',4'-TRIFLUOROBIPHENYL- 2-YL)OXY]ETHANOL | A,B | 2OP3 | 0.76 | |
CTX | (Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)- PHENOXY]-N,N-DIMETHYLETHANAMINE | A,B,C | 1YA4 | 0.73 | |
CIO | CILOMILAST | A,B | 1XOM | 0.76 | |
CIO | CILOMILAST | A,B | 1XLX | 0.76 |