Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02125692
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 |
2MP![]() | 3,4-DIMETHYLPHENOL | A | 1L5O | 0.72 | ![]() |
AEH![]() | 4-(2-aminoethyl)-2-ethylphenol | A | 3BUG | 0.74 | ![]() |
17M![]() | 17-METHYL-17-ALPHA-DIHYDROEQUILENIN | A,B | 2B1Z | 0.71 | ![]() |
TXF![]() | (Z)-4-(1-{4-[2-(DIMETHYLAMINO)ETHOXY]PHENYL}- 5-HYDROXY-2-PHENYLPENT-1-ENYL)PHENOL | A,B,C,D,E | 2EWP | 0.71 | ![]() |
DIN![]() | 1,6-DIHYDROXY NAPHTHALENE | A | 1ZB6 | 0.72 | ![]() |
AHT![]() | 4-(2,5-DIAMINO-5-HYDROXY-PENTYL)- PHENOL | I,T | 1TMB | 0.71 | ![]() |
MBD![]() | 3-METHYLCATECHOL | A | 1KNF | 0.74 | ![]() |
PIT![]() | PICEATANNOL | A,B,C,D,E,F, G,H,I,J,K,L, M,N | 2JJ1 | 0.72 | ![]() |
MA0![]() | (1R)-6-HYDROXY-N-METHYL-N-[(1Z)- PROP-2-EN-1-YLIDENE]INDAN-1-AMINIUM | A,B | 2C64 | 0.73 | ![]() |
TY3![]() | 3-HYDROXY-L-TYROSINE | A,B | 2VH3 | 0.71 | ![]() |
OTS![]() | 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RG2 | 0.7 | ![]() |
OTS![]() | 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RG1 | 0.7 | ![]() |
OTS![]() | 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RH0 | 0.7 | ![]() |
OTS![]() | 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RGU | 0.7 | ![]() |
OTS![]() | 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RGT | 0.7 | ![]() |
EPT![]() | HEPTANYL-P-PHENOL | A,B | 1AHZ | 0.72 | ![]() |
EYK![]() | 2-tert-butylbenzene-1,4-diol | D,F | 3EYM | 0.7 | ![]() |
EYK![]() | 2-tert-butylbenzene-1,4-diol | B | 3EYK | 0.7 | ![]() |
BPZ![]() | 4,4'-cyclohexane-1,1-diyldiphenol | A | 2ZKC | 0.74 | ![]() |
SLX![]() | (13aS)-3,10-dimethoxy-5,8,13,13a- tetrahydro-6H-isoquino[3,2-a]isoquinoline- 2,9-diol | A | 3FW9 | 0.76 | ![]() |
BP3![]() | 2'-CHLORO-BIPHENYL-2,3-DIOL | A | 1LGT | 0.72 | ![]() |
BM4![]() | 3-[(3R)-3-ethyl-1-{9-[(3S)-3-ethyl- 3-(3-hydroxyphenyl)azepan-1-yl]nonyl}azepan- 3-yl]phenol | X | 2W6C | 0.87 | ![]() |
SAF![]() | 3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOL | A | 1GQR | 0.76 | ![]() |
SAF![]() | 3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOL | A | 1GQS | 0.76 | ![]() |
DES![]() | DIETHYLSTILBESTROL | A,B,C,D | 1S9P | 0.75 | ![]() |
DES![]() | DIETHYLSTILBESTROL | A,B | 3ERD | 0.75 | ![]() |
DES![]() | DIETHYLSTILBESTROL | A,B | 1TT6 | 0.75 | ![]() |
DES![]() | DIETHYLSTILBESTROL | A,B,C,D | 1TZ8 | 0.75 | ![]() |
R12![]() | 9-(4-HYDROXY-2,6-DIMETHYL-PHENYL)- 3,7-DIMETHYL-NONA-4,6,8-TRIENOIC ACID | A | 3CBS | 0.72 | ![]() |
OTR![]() | 4-(2R-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RGT | 0.7 | ![]() |
OTR![]() | 4-(2R-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RG2 | 0.7 | ![]() |
OTR![]() | 4-(2R-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 2AN4 | 0.7 | ![]() |
ALE![]() | L-EPINEPHRINE | A | 3PAH | 0.78 | ![]() |
ALE![]() | L-EPINEPHRINE | A | 2HKK | 0.78 | ![]() |
LNR![]() | L-NOREPINEPHRINE | A,B | 2QEO | 0.76 | ![]() |
LNR![]() | L-NOREPINEPHRINE | A | 3DYE | 0.76 | ![]() |
LNR![]() | L-NOREPINEPHRINE | A | 4PAH | 0.76 | ![]() |
IPB![]() | 5-METHYL-2-(1-METHYLETHYL)PHENOL | A,B | 1E06 | 0.72 | ![]() |
1NP![]() | 1-NAPHTHOL | X | 2ZVQ | 0.71 | ![]() |
SDT![]() | 3,4-dihydroxy-9,10-secoandrosta- 1(10),2,4-triene-9,17-dione | A,B | 2ZI8 | 0.72 | ![]() |
MOI![]() | (7R,7AS,12BS)-3-METHYL-2,3,4,4A,7,7A- HEXAHYDRO-1H-4,12-METHANO[1]BENZOFURO[3,2- E]ISOQUINOLINE-7,9-DIOL | H,L | 1Q0Y | 0.7 | ![]() |
LDP![]() | L-DOPAMINE | A,B | 2A3R | 0.81 | ![]() |
LDP![]() | L-DOPAMINE | A | 5PAH | 0.81 | ![]() |
LDP![]() | L-DOPAMINE | A,B | 2QMZ | 0.81 | ![]() |
LDP![]() | L-DOPAMINE | A,B | 2VQ5 | 0.81 | ![]() |
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 | ![]() |
2OH![]() | 4,4'-PROPANE-2,2-DIYLDIPHENOL | A | 2E2R | 0.75 | ![]() |
2OH![]() | 4,4'-PROPANE-2,2-DIYLDIPHENOL | A | 2P7G | 0.75 | ![]() |
Y13![]() | (2E)-3-(3,4-DIHYDROXYPHENYL)-N- [2-(4-HYDROXYPHENYL)ETHYL]ACRYLAMIDE | A | 2EW6 | 0.79 | ![]() |
1OH![]() | 4-(1-methyl-1-phenylethyl)phenol | A | 2ZAS | 0.75 | ![]() |
RHP![]() | (3R)-3-(PROP-2-YNYLAMINO)INDAN- 5-OL | A,B | 1S3E | 0.71 | ![]() |
BP7![]() | 1,1'-BIPHENYL-3,4-DIOL | A | 2EI0 | 0.8 | ![]() |
REN![]() | (S)-reticuline | A | 3FWA | 0.79 | ![]() |
REN![]() | (S)-reticuline | A | 3D2D | 0.79 | ![]() |
HXS![]() | 4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenol | A,B | 3CV6 | 0.78 | ![]() |
BP6![]() | 2',6'-DICHLORO-BIPHENYL-2,6-DIOL | A | 1LKD | 0.71 | ![]() |
ETC![]() | (R,R)-5,11-CIS-DIETHYL-5,6,11,12- TETRAHYDROCHRYSENE-2,8-DIOL | A,B | 1L2I | 0.76 | ![]() |
ETC![]() | (R,R)-5,11-CIS-DIETHYL-5,6,11,12- TETRAHYDROCHRYSENE-2,8-DIOL | A,B | 1L2J | 0.76 | ![]() |
AEG![]() | 4-[(2R)-2-aminopropyl]phenol | A | 3BUF | 0.73 | ![]() |
AED![]() | 4-(2-aminoethyl)-2-cyclohexylphenol | A | 3BUH | 0.77 | ![]() |
EST![]() | ESTRADIOL | A,B | 1GWR | 0.71 | ![]() |
EST![]() | ESTRADIOL | A | 1FDS | 0.71 | ![]() |
EST![]() | ESTRADIOL | A,B,C | 1G50 | 0.71 | ![]() |
EST![]() | ESTRADIOL | A,B,C,D,E,F | 1ERE | 0.71 | ![]() |
EST![]() | ESTRADIOL | A,B | 1A52 | 0.71 | ![]() |
EST![]() | ESTRADIOL | A | 1FDT | 0.71 | ![]() |
EST![]() | ESTRADIOL | A | 2OCF | 0.71 | ![]() |
EST![]() | ESTRADIOL | A,B,C | 1QKU | 0.71 | ![]() |
EST![]() | ESTRADIOL | A,B,C,D,L | 1E6W | 0.71 | ![]() |
EST![]() | ESTRADIOL | A | 1IOL | 0.71 | ![]() |
EST![]() | ESTRADIOL | H | 1JNN | 0.71 | ![]() |
EST![]() | ESTRADIOL | B | 1QKT | 0.71 | ![]() |
EST![]() | ESTRADIOL | A | 1FDW | 0.71 | ![]() |
EST![]() | ESTRADIOL | A,B | 1AQU | 0.71 | ![]() |
EST![]() | ESTRADIOL | A | 1LHU | 0.71 | ![]() |
EST![]() | ESTRADIOL | A | 1A27 | 0.71 | ![]() |
EST![]() | ESTRADIOL | L | 1JGL | 0.71 | ![]() |
EST![]() | ESTRADIOL | A,B,E,F | 1PCG | 0.71 | ![]() |
EST![]() | ESTRADIOL | A,B,C,D | 1FDU | 0.71 | ![]() |
EST![]() | ESTRADIOL | A | 2J7X | 0.71 | ![]() |
EST![]() | ESTRADIOL | A,B | 2D06 | 0.71 | ![]() |
3QC![]() | (4R)-4-(3-HYDROXYPHENYL)-N,N,7,8- TETRAMETHYL-3,4-DIHYDROISOQUINOLINE- 2(1H)-CARBOXAMIDE | A,B | 2FME | 0.78 | ![]() |
AEF![]() | 4-(2-aminoethyl)phenol | A | 3BRA | 0.73 | ![]() |
ECS![]() | 2,3,17BETA-TRIHYDROXY-1,3,5(10)- ESTRATRIENE | A,B,C,D | 2BW7 | 0.74 | ![]() |
BPY![]() | BIPHENYL-2,3-DIOL | A | 1KMY | 0.79 | ![]() |
BPY![]() | BIPHENYL-2,3-DIOL | B | 1KW8 | 0.79 | ![]() |
BPY![]() | BIPHENYL-2,3-DIOL | A | 2EI3 | 0.79 | ![]() |
BPY![]() | BIPHENYL-2,3-DIOL | A | 1EIR | 0.79 | ![]() |
BPY![]() | BIPHENYL-2,3-DIOL | B | 1KW6 | 0.79 | ![]() |
BPY![]() | BIPHENYL-2,3-DIOL | B | 1KWC | 0.79 | ![]() |
BPY![]() | BIPHENYL-2,3-DIOL | B | 1KW9 | 0.79 | ![]() |
GNT![]() | (-)-GALANTHAMINE | A | 1DX6 | 0.71 | ![]() |
GNT![]() | (-)-GALANTHAMINE | A | 1QTI | 0.71 | ![]() |
GNT![]() | (-)-GALANTHAMINE | A,B,C,D,E | 2PH9 | 0.71 | ![]() |
GNT![]() | (-)-GALANTHAMINE | A,B | 1W76 | 0.71 | ![]() |
GNT![]() | (-)-GALANTHAMINE | A | 1W6R | 0.71 | ![]() |
PFL![]() | 2,6-BIS(1-METHYLETHYL)PHENOL | A,B | 1E7A | 0.7 | ![]() |
MCT![]() | 4-METHYLCATECHOL | A | 1L4G | 0.74 | ![]() |
MCT![]() | 4-METHYLCATECHOL | A | 2EHZ | 0.74 | ![]() |
MCT![]() | 4-METHYLCATECHOL | A,B | 1DMH | 0.74 | ![]() |
D1N![]() | NAPHTHALENE-1,2-DIOL | A | 2EI1 | 0.77 | ![]() |
DAH![]() | 3,4-DIHYDROXYPHENYLALANINE | A,B | 1RNR | 0.71 | ![]() |
DAH![]() | 3,4-DIHYDROXYPHENYLALANINE | A | 6PAH | 0.71 | ![]() |
DAH![]() | 3,4-DIHYDROXYPHENYLALANINE | A,B | 1IVV | 0.71 | ![]() |
AOE![]() | N-BUTYL-11-[(7R,8R,9S,13S,14S,17S)- 3,17-DIHYDROXY-13-METHYL-7,8,9,11,12,13,14,15,16,17- DECAHYDRO-6H-CYCLOPENTA[A]PHENANTHREN- 7-YL]-N-METHYLUNDECANAMIDE | A | 1HJ1 | 0.73 | ![]() |
8PS![]() | 5-OCTYL-2-PHENOXYPHENOL | A,B,C,D,E,F | 2B37 | 0.74 | ![]() |
TN1![]() | 5,6,7,8-TETRAHYDRONAPHTHALEN-1- OL | A | 1YSG | 0.71 | ![]() |
LJ1![]() | 2,6-dimethyl-4-[(E)-2-phenylethenyl]phenol | A,B | 3CN0 | 0.72 | ![]() |
E3O![]() | (16ALPHA,17ALPHA)-ESTRA-1,3,5(10)- TRIENE-3,16,17-TRIOL | A | 2J7Y | 0.72 | ![]() |
5PP![]() | 5-PENTYL-2-PHENOXYPHENOL | A,B,C,D,E,F | 2B36 | 0.74 | ![]() |
226![]() | naphthalene-1,2,4,5,7-pentol | A,B | 2NZ5 | 0.71 | ![]() |
C3D![]() | (5R,6S)-6-PHENYL-5-[4-(2-PYRROLIDIN- 1-YLETHOXY)PHENYL]-5,6,7,8-TETRAHYDRONAPHTHALEN- 2-OL | A | 2OUZ | 0.73 | ![]() |
ESL![]() | ESTRIOL | A | 1X8V | 0.72 | ![]() |