Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03378002
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 |
HE7![]() | 4-{[(14beta,17alpha)-3-hydroxyestra- 1,3,5(10)-trien-17-yl]oxy}-4-oxobutanoic acid | A,B,C,D | 2Z77 | 0.77 | ![]() |
TTL![]() | TRANS-(1S,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN- 1-OL | A,B | 2AN5 | 0.77 | ![]() |
EQI![]() | EQUILIN | A,B | 1EQU | 0.75 | ![]() |
EQU![]() | EQUILENIN | A,B | 1OGX | 0.74 | ![]() |
EQU![]() | EQUILENIN | A,B,C,D,E,F | 1QJG | 0.74 | ![]() |
EQU![]() | EQUILENIN | A,B | 1OH0 | 0.74 | ![]() |
EQU![]() | EQUILENIN | A | 1W6Y | 0.74 | ![]() |
EQU![]() | EQUILENIN | A,B | 1CQS | 0.74 | ![]() |
EQU![]() | EQUILENIN | A | 1OGZ | 0.74 | ![]() |
EQU![]() | EQUILENIN | A | 1GS3 | 0.74 | ![]() |
EQU![]() | EQUILENIN | A | 1OHO | 0.74 | ![]() |
ESO![]() | O3-PHOSPHONOESTRONE | B,C | 1ESS | 0.71 | ![]() |
ESL![]() | ESTRIOL | A | 1X8V | 0.83 | ![]() |
AEH![]() | 4-(2-aminoethyl)-2-ethylphenol | A | 3BUG | 0.75 | ![]() |
REN![]() | (S)-reticuline | A | 3FWA | 0.7 | ![]() |
REN![]() | (S)-reticuline | A | 3D2D | 0.7 | ![]() |
099![]() | (2R)-N~4~-hydroxy-2-(3-hydroxybenzyl)- N~1~-[(1S,2R)-2-hydroxy-2,3-dihydro- 1H-inden-1-yl]butanediamide | A,B | 3HYG | 0.75 | ![]() |
E3O![]() | (16ALPHA,17ALPHA)-ESTRA-1,3,5(10)- TRIENE-3,16,17-TRIOL | A | 2J7Y | 0.83 | ![]() |
ECO![]() | ESTRADIOL-6 CARBOXYL-METHYL-OXIME | B,D,F,H | 1JNH | 0.76 | ![]() |
ESM![]() | 1,3,5(10)-ESTRATRIEN-2,3,17-BETA- TRIOL 2-METHYL ETHER | A | 1LHW | 0.76 | ![]() |
1OH![]() | 4-(1-methyl-1-phenylethyl)phenol | A | 2ZAS | 0.71 | ![]() |
CTL![]() | CIS-(1R,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN- 1-OL | A,B | 2AN3 | 0.77 | ![]() |
LDP![]() | L-DOPAMINE | A,B | 2A3R | 0.73 | ![]() |
LDP![]() | L-DOPAMINE | A | 5PAH | 0.73 | ![]() |
LDP![]() | L-DOPAMINE | A,B | 2QMZ | 0.73 | ![]() |
LDP![]() | L-DOPAMINE | A,B | 2VQ5 | 0.73 | ![]() |
ECS![]() | 2,3,17BETA-TRIHYDROXY-1,3,5(10)- ESTRATRIENE | A,B,C,D | 2BW7 | 0.81 | ![]() |
2E3![]() | (2E)-3-[4-hydroxy-3-(3,5,5,8,8- pentamethyl-5,6,7,8-tetrahydronaphthalen- 2-yl)phenyl]prop-2-enoic acid | A | 3FUG | 0.71 | ![]() |
BPZ![]() | 4,4'-cyclohexane-1,1-diyldiphenol | A | 2ZKC | 0.74 | ![]() |
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 | 0.8 | ![]() |
EZT![]() | (17BETA)-17-{(E)-2-[2-(TRIFLUOROMETHYL)PHENYL]VINYL}ESTRA- 1(10),2,4-TRIENE-3,17-DIOL | A,B | 2P15 | 0.77 | ![]() |
ETC![]() | (R,R)-5,11-CIS-DIETHYL-5,6,11,12- TETRAHYDROCHRYSENE-2,8-DIOL | A,B | 1L2I | 0.74 | ![]() |
ETC![]() | (R,R)-5,11-CIS-DIETHYL-5,6,11,12- TETRAHYDROCHRYSENE-2,8-DIOL | A,B | 1L2J | 0.74 | ![]() |
AHT![]() | 4-(2,5-DIAMINO-5-HYDROXY-PENTYL)- PHENOL | I,T | 1TMB | 0.8 | ![]() |
EST![]() | ESTRADIOL | A,B | 1GWR | 0.85 | ![]() |
EST![]() | ESTRADIOL | A | 1FDS | 0.85 | ![]() |
EST![]() | ESTRADIOL | A,B,C | 1G50 | 0.85 | ![]() |
EST![]() | ESTRADIOL | A,B,C,D,E,F | 1ERE | 0.85 | ![]() |
EST![]() | ESTRADIOL | A,B | 1A52 | 0.85 | ![]() |
EST![]() | ESTRADIOL | A | 1FDT | 0.85 | ![]() |
EST![]() | ESTRADIOL | A | 2OCF | 0.85 | ![]() |
EST![]() | ESTRADIOL | A,B,C | 1QKU | 0.85 | ![]() |
EST![]() | ESTRADIOL | A,B,C,D,L | 1E6W | 0.85 | ![]() |
EST![]() | ESTRADIOL | A | 1IOL | 0.85 | ![]() |
EST![]() | ESTRADIOL | H | 1JNN | 0.85 | ![]() |
EST![]() | ESTRADIOL | B | 1QKT | 0.85 | ![]() |
EST![]() | ESTRADIOL | A | 1FDW | 0.85 | ![]() |
EST![]() | ESTRADIOL | A,B | 1AQU | 0.85 | ![]() |
EST![]() | ESTRADIOL | A | 1LHU | 0.85 | ![]() |
EST![]() | ESTRADIOL | A | 1A27 | 0.85 | ![]() |
EST![]() | ESTRADIOL | L | 1JGL | 0.85 | ![]() |
EST![]() | ESTRADIOL | A,B,E,F | 1PCG | 0.85 | ![]() |
EST![]() | ESTRADIOL | A,B,C,D | 1FDU | 0.85 | ![]() |
EST![]() | ESTRADIOL | A | 2J7X | 0.85 | ![]() |
EST![]() | ESTRADIOL | A,B | 2D06 | 0.85 | ![]() |
TYB![]() | TYROSINAL | A,B | 1KDZ | 0.72 | ![]() |
TYB![]() | TYROSINAL | A | 1Q11 | 0.72 | ![]() |
TYB![]() | TYROSINAL | A,B | 2J5B | 0.72 | ![]() |
TYB![]() | TYROSINAL | A,I | 1GA4 | 0.72 | ![]() |
TYB![]() | TYROSINAL | A,B,C | 1NLU | 0.72 | ![]() |
TYB![]() | TYROSINAL | A,B | 1KE1 | 0.72 | ![]() |
TYB![]() | TYROSINAL | A,B | 1H3F | 0.72 | ![]() |
TYB![]() | TYROSINAL | A,B | 1H3E | 0.72 | ![]() |
LNR![]() | L-NOREPINEPHRINE | A,B | 2QEO | 0.74 | ![]() |
LNR![]() | L-NOREPINEPHRINE | A | 3DYE | 0.74 | ![]() |
LNR![]() | L-NOREPINEPHRINE | A | 4PAH | 0.74 | ![]() |
17M![]() | 17-METHYL-17-ALPHA-DIHYDROEQUILENIN | A,B | 2B1Z | 0.78 | ![]() |
SAF![]() | 3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOL | A | 1GQR | 0.74 | ![]() |
SAF![]() | 3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOL | A | 1GQS | 0.74 | ![]() |
AED![]() | 4-(2-aminoethyl)-2-cyclohexylphenol | A | 3BUH | 0.78 | ![]() |
HXS![]() | 4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenol | A,B | 3CV6 | 0.72 | ![]() |
3QC![]() | (4R)-4-(3-HYDROXYPHENYL)-N,N,7,8- TETRAMETHYL-3,4-DIHYDROISOQUINOLINE- 2(1H)-CARBOXAMIDE | A,B | 2FME | 0.7 | ![]() |
AEF![]() | 4-(2-aminoethyl)phenol | A | 3BRA | 0.73 | ![]() |
DRQ![]() | (9ALPHA,13BETA,17BETA)-2-[(1Z)- BUT-1-EN-1-YL]ESTRA-1,3,5(10)-TRIENE- 3,17-DIOL | A,B | 2G5O | 0.83 | ![]() |
EED![]() | (9BETA,11ALPHA,13ALPHA,14BETA,17ALPHA)- 11-(METHOXYMETHYL)ESTRA-1(10),2,4- TRIENE-3,17-DIOL | A,B | 2QGT | 0.83 | ![]() |
098![]() | (3R)-N~2~-(cyclopropylmethyl)-N~1~- hydroxy-3-(3-hydroxybenzyl)-N~4~- [(1S,2R)-2-hydroxy-2,3-dihydro- 1H-inden-1-yl]-L-aspartamide | A,B | 3HY9 | 0.71 | ![]() |
BM4![]() | 3-[(3R)-3-ethyl-1-{9-[(3S)-3-ethyl- 3-(3-hydroxyphenyl)azepan-1-yl]nonyl}azepan- 3-yl]phenol | X | 2W6C | 0.7 | ![]() |
OTS![]() | 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RG2 | 0.76 | ![]() |
OTS![]() | 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RG1 | 0.76 | ![]() |
OTS![]() | 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RH0 | 0.76 | ![]() |
OTS![]() | 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RGU | 0.76 | ![]() |
OTS![]() | 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RGT | 0.76 | ![]() |
B3Y![]() | (3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACID | A | 3HF0 | 0.71 | ![]() |
B3Y![]() | (3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACID | A | 2OXK | 0.71 | ![]() |
B3Y![]() | (3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACID | A,B,C | 2OXJ | 0.71 | ![]() |
RHP![]() | (3R)-3-(PROP-2-YNYLAMINO)INDAN- 5-OL | A,B | 1S3E | 0.8 | ![]() |
RM2![]() | 4-HYDROXY-N-PROPARGYL-1(R)-AMINOINDAN | A,B | 2C66 | 0.75 | ![]() |
459![]() | 4-[(1S,2S,5S,9R)-5-(HYDROXYMETHYL)- 8,9-DIMETHYL-3-OXABICYCLO[3.3.1]NON- 7-EN-2-YL]PHENOL | A,B | 2FAI | 0.71 | ![]() |
OTR![]() | 4-(2R-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RGT | 0.76 | ![]() |
OTR![]() | 4-(2R-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RG2 | 0.76 | ![]() |
OTR![]() | 4-(2R-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 2AN4 | 0.76 | ![]() |
689![]() | 4-[(1S,2S,5S)-5-(HYDROXYMETHYL)- 6,8,9-TRIMETHYL-3-OXABICYCLO[3.3.1]NON- 7-EN-2-YL]PHENOL | A,B | 1ZKY | 0.7 | ![]() |
MA0![]() | (1R)-6-HYDROXY-N-METHYL-N-[(1Z)- PROP-2-EN-1-YLIDENE]INDAN-1-AMINIUM | A,B | 2C64 | 0.76 | ![]() |
166![]() | 6-CARBAMIMIDOYL-2-[2-HYDROXY-6- (4-HYDROXY-PHENYL)-INDAN-1-YL]- HEXANOIC ACID | B,I | 1QJ1 | 0.71 | ![]() |
ALE![]() | L-EPINEPHRINE | A | 3PAH | 0.71 | ![]() |
ALE![]() | L-EPINEPHRINE | A | 2HKK | 0.71 | ![]() |
2OH![]() | 4,4'-PROPANE-2,2-DIYLDIPHENOL | A | 2E2R | 0.72 | ![]() |
2OH![]() | 4,4'-PROPANE-2,2-DIYLDIPHENOL | A | 2P7G | 0.72 | ![]() |
AEG![]() | 4-[(2R)-2-aminopropyl]phenol | A | 3BUF | 0.77 | ![]() |
PO1![]() | (9BETA,13ALPHA,14BETA,17ALPHA)- 2-METHOXYESTRA-1,3,5(10)-TRIENE- 3,17-DIYL DISULFAMATE | A | 2GD8 | 0.7 | ![]() |