Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02304319
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 |
CTX![]() | (Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)- PHENOXY]-N,N-DIMETHYLETHANAMINE | A,B,C | 1YA4 | 0.79 | ![]() |
FLN![]() | 2-PHENYL-4H-CHROMEN-4-ONE | A | 2G0L | 0.74 | ![]() |
D18![]() | 2,5-BIS{[4-(N-ISOPROPYL)DIAMINOMETHYL]PHENYL}FURAN | B | 298D | 0.72 | ![]() |
RAL![]() | RALOXIFENE | A,B | 2JFA | 0.73 | ![]() |
RAL![]() | RALOXIFENE | A,B | 1ERR | 0.73 | ![]() |
RAL![]() | RALOXIFENE | A,B | 2QXS | 0.73 | ![]() |
RAL![]() | RALOXIFENE | A | 1QKN | 0.73 | ![]() |
2NI![]() | N-{2-[(4'-CYANO-1,1'-BIPHENYL-4- YL)OXY]ETHYL}-N'-HYDROXY-N-METHYLUREA | A | 1ZP5 | 0.74 | ![]() |
MAX![]() | MATAIRESINOL | A | 2BGM | 0.71 | ![]() |
C3D![]() | (5R,6S)-6-PHENYL-5-[4-(2-PYRROLIDIN- 1-YLETHOXY)PHENYL]-5,6,7,8-TETRAHYDRONAPHTHALEN- 2-OL | A | 2OUZ | 0.76 | ![]() |
PI8![]() | N-13-[(10S,13S)-9,12-DIOXO-10-(2- BUTYL)-2-OXA-8,11-DIAZABICYCLO [13.2.2] NONADECA- 15,17,18-TRIENE] (2R)-BENZYL-(4S)- HYDROXY-5-AMINOPENTANOIC (1R)-HYDROXY- (2S)-INDANEAMIDE | A,B | 1D4K | 0.7 | ![]() |
TAX![]() | (Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)- PHENOXY]-N,N-DIMETHYLETHANAMINIUM | A | 1FJ5 | 0.76 | ![]() |
OHT![]() | 4-HYDROXYTAMOXIFEN | A | 3ERT | 0.77 | ![]() |
OHT![]() | 4-HYDROXYTAMOXIFEN | A,B | 1S9Q | 0.77 | ![]() |
OHT![]() | 4-HYDROXYTAMOXIFEN | A,B | 1VJB | 0.77 | ![]() |
OHT![]() | 4-HYDROXYTAMOXIFEN | A,B,C,P,R | 2JF9 | 0.77 | ![]() |
OHT![]() | 4-HYDROXYTAMOXIFEN | A,B,C,D,E,F | 2GPV | 0.77 | ![]() |
OHT![]() | 4-HYDROXYTAMOXIFEN | A | 2GPU | 0.77 | ![]() |
OHT![]() | 4-HYDROXYTAMOXIFEN | A | 2P7Z | 0.77 | ![]() |
OHT![]() | 4-HYDROXYTAMOXIFEN | A,B | 2BJ4 | 0.77 | ![]() |
OHT![]() | 4-HYDROXYTAMOXIFEN | A,B | 2FSZ | 0.77 | ![]() |
R19![]() | ALLYL-{6-[3-(4-BROMO-PHENYL)-BENZOFURAN- 6-YLOXY]-HEXYL-}-METHYL-AMIN | A,B,C | 1O6R | 0.73 | ![]() |
397![]() | 2-(4-HYDROXY-PHENYL)BENZOFURAN- 5-OL | A,B | 1U9E | 0.71 | ![]() |
R88![]() | (4-BROMOPHENYL)[4-({(2E)-4-[CYCLOPROPYL(METHYL)AMINO]BUT- 2-ENYL}OXY)PHENYL]METHANONE | A,B,C | 1H36 | 0.8 | ![]() |
VII![]() | 2,5-DIPHENYLFURAN-3,4-DICARBOXYLIC ACID | A,B | 2GFK | 0.7 | ![]() |
CIO![]() | CILOMILAST | A,B | 1XOM | 0.72 | ![]() |
CIO![]() | CILOMILAST | A,B | 1XLX | 0.72 | ![]() |
11N![]() | 1-[1'-(3-phenylacryloyl)spiro[1- benzofuran-3,4'-piperidin]-5-yl]methanamine | A,B,C,D | 2ZEC | 0.72 | ![]() |
BHF![]() | 2-PHENYL-4H-BENZO[H]CHROMEN-4-ONE | A | 2HI4 | 0.73 | ![]() |
LRG![]() | (2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid | A | 3B3K | 0.71 | ![]() |
LRG![]() | (2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid | A | 3D6D | 0.71 | ![]() |
GRR![]() | (2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acid | A | 3CDS | 0.71 | ![]() |
LLC![]() | [6-hydroxy-2-(4-hydroxyphenyl)- 1-benzothien-3-yl][4-(2-pyrrolidin- 1-ylethoxy)phenyl]methanone | A,B | 2R6Y | 0.74 | ![]() |
SNP![]() | 1-(ISOPROPYLAMINO)-3-(1-NAPHTHYLOXY)- 2-PROPANOL | A | 1DY4 | 0.71 | ![]() |
HC7![]() | (2S)-2-[4'-({dimethyl[2-(phosphonooxy)ethyl]ammonio}acetyl)biphenyl- 4-yl]-2-hydroxy-4,4-dimethylmorpholin- 4-ium | A | 3FEG | 0.7 | ![]() |
4TN![]() | (2E)-3-[3-(3-ETHOXY-5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRONAPHTHALEN-2- YL)-4-HYDROXYPHENYL]ACRYLIC ACID | A | 2P1U | 0.7 | ![]() |
CM4![]() | (2R,3R,4S)-3-(4-HYDROXYPHENYL)- 4-METHYL-2-[4-(2-PYRROLIDIN-1-YLETHOXY)PHENYL]CHROMAN- 6-OL | A | 1YIM | 0.72 | ![]() |
LLB![]() | [6-hydroxy-2-(4-hydroxyphenyl)- 1-benzothien-3-yl]{4-[2-(4-methylpiperidin- 1-yl)ethoxy]phenyl}methanone | A,B | 2R6W | 0.73 | ![]() |
NPS![]() | (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid | A | 2VDB | 0.71 | ![]() |
244![]() | [5-HYDROXY-2-(4-HYDROXYPHENYL)- 1-BENZOFURAN-7-YL]ACETONITRILE | A,B | 1X78 | 0.71 | ![]() |
244![]() | [5-HYDROXY-2-(4-HYDROXYPHENYL)- 1-BENZOFURAN-7-YL]ACETONITRILE | A,B | 1X7E | 0.71 | ![]() |
4MP![]() | 1-(4-METHOXYBENZOYL)-2-PYRROLIDINONE | A,B | 2AL5 | 0.71 | ![]() |
AI7![]() | 3-(heptyloxy)benzoic acid | A,B | 2O3Z | 0.76 | ![]() |
CMZ![]() | (2S)-1-(2,5-dimethylphenoxy)-3- morpholin-4-ylpropan-2-ol | A | 2OF0 | 0.72 | ![]() |
FLU![]() | 2-(6-HYDROXY-3-OXO-3H-XANTHEN-9- YL)-BENZOIC ACID | L | 1FLR | 0.71 | ![]() |
FLU![]() | 2-(6-HYDROXY-3-OXO-3H-XANTHEN-9- YL)-BENZOIC ACID | A,B | 1N0S | 0.71 | ![]() |
FLU![]() | 2-(6-HYDROXY-3-OXO-3H-XANTHEN-9- YL)-BENZOIC ACID | C,L | 1T66 | 0.71 | ![]() |
FLU![]() | 2-(6-HYDROXY-3-OXO-3H-XANTHEN-9- YL)-BENZOIC ACID | A | 1X9Q | 0.71 | ![]() |
FLU![]() | 2-(6-HYDROXY-3-OXO-3H-XANTHEN-9- YL)-BENZOIC ACID | A,D | 2NMV | 0.71 | ![]() |
R02![]() | {4-[((1S,2S)-2-{[ALLYL(CYCLOPROPYL)AMINO]METHYL}CYCLOPROPYL)METHOXY]PHENYL}(4- BROMOPHENYL)METHANONE | A,B,C | 1H37 | 0.75 | ![]() |
LY2![]() | 2-MORPHOLIN-4-YL-7-PHENYL-4H-CHROMEN- 4-ONE | A | 1YI3 | 0.8 | ![]() |
LY2![]() | 2-MORPHOLIN-4-YL-7-PHENYL-4H-CHROMEN- 4-ONE | A | 1E7V | 0.8 | ![]() |
3MB![]() | 3-METHOXYBENZAMIDE | A | 3PAX | 0.72 | ![]() |
E20![]() | 1-BENZYL-4-[(5,6-DIMETHOXY-1-INDANON- 2-YL)METHYL]PIPERIDINE | A | 1EVE | 0.83 | ![]() |
2TN![]() | 2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDE | A | 2OTF | 0.71 | ![]() |
2TN![]() | 2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDE | A | 2NUV | 0.71 | ![]() |
2TN![]() | 2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDE | A | 2OUB | 0.71 | ![]() |
789![]() | 3-BROMO-6-HYDROXY-2-(4-HYDROXYPHENYL)- 1H-INDEN-1-ONE | A,B | 1ZAF | 0.7 | ![]() |
L01![]() | 3-[({(1S,2R)-1-BENZYL-2-HYDROXY- 3-[(3-METHOXYBENZYL)AMINO]PROPYL}AMINO)(HYDROXY)METHYL]- N,N-DIPROPYLBENZAMIDE | A | 1W51 | 0.71 | ![]() |
D24![]() | 2,5-BIS-[4-[CYCLOPENTA-1,3-DIEN- 5-YLAMINO-1-AMINOMETHYL]-PHEN-1- YL]FURAN | B | 1EEL | 0.7 | ![]() |
DFL![]() | 2-(4-HYDROXY-PHENYL)-CHROMAN-4- ONE | A,B | 1JEP | 0.72 | ![]() |
IKR![]() | methyl (2E)-{2-[(4-iodo-2,5-dimethylphenoxy)methyl]phenyl}(methoxyimino)ethanoate | A,C,D,E,N,P, Q,R | 3H1K | 0.71 | ![]() |
TXF![]() | (Z)-4-(1-{4-[2-(DIMETHYLAMINO)ETHOXY]PHENYL}- 5-HYDROXY-2-PHENYLPENT-1-ENYL)PHENOL | A,B,C,D,E | 2EWP | 0.77 | ![]() |
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 | 0.7 | ![]() |
K55![]() | (2S)-2-{4-butoxy-3-[({[2-fluoro- 4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]benzyl}butanoic acid | A,B | 2ZNP | 0.71 | ![]() |
HWG![]() | N-(TERT-BUTYL)-3,5-DIMETHYL-N'- [(5-METHYL-2,3-DIHYDRO-1,4-BENZODIOXIN- 6-YL)CARBONYL]BENZOHYDRAZIDE | A,D | 1R20 | 0.7 | ![]() |
167![]() | 6-CARBAMIMIDOYL-2-[2-HYDROXY-5- (3-METHOXY-PHENYL)-INDAN-1-YL]- HEXANOIC ACID | B,I | 1QJ6 | 0.7 | ![]() |
LZP![]() | 4,4'-piperazine-1,4-diylbis{1-[3- (benzyloxy)phenyl]-4-oxobutane- 1,3-dione} | A | 3EAX | 0.75 | ![]() |
SB8![]() | 2-(3-BENZOYLPHENOXY)ETHYL(HYDROXY)FORMAMIDE | A | 2AIA | 0.86 | ![]() |
886![]() | N-({4'-[(4-isobutyrylphenoxy)methyl]biphenyl- 4-yl}sulfonyl)-D-valine | A,B,C,D | 2RJP | 0.72 | ![]() |
DEO![]() | A,B | 1ROS | 0.76 | ![]() | |
ROL![]() | ROLIPRAM | A,B,C,D | 1OYN | 0.72 | ![]() |
ROL![]() | ROLIPRAM | A,B | 1XMY | 0.72 | ![]() |
ROL![]() | ROLIPRAM | A,B,C,D | 1Q9M | 0.72 | ![]() |
ROL![]() | ROLIPRAM | A,B | 1RO6 | 0.72 | ![]() |
ROL![]() | ROLIPRAM | A,B | 1XN0 | 0.72 | ![]() |
ROL![]() | ROLIPRAM | A,B | 1TBB | 0.72 | ![]() |
DCH![]() | 3-(7-DIAMINOMETHYL-NAPHTHALEN-2- YL)-PROPIONIC ACID ETHYL ESTER | H | 1UVU | 0.73 | ![]() |
D19![]() | 2,5-BIS{[4-(N-CYCLOPROPYLDIAMINOMETHYL)PHENYL]}FURAN | A | 289D | 0.7 | ![]() |
BZF![]() | BENZOFURAN | A | 182L | 0.73 | ![]() |
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 | 0.7 | ![]() |
NBF![]() | [(2-ETHOXY-1-NAPHTHOYL)AMINO]METHYLBORONIC ACID | A | 1NY0 | 0.74 | ![]() |
NBF![]() | [(2-ETHOXY-1-NAPHTHOYL)AMINO]METHYLBORONIC ACID | A,B | 1YMS | 0.74 | ![]() |
R17![]() | ALLYL-{4-[3-(4-BROMO-PHENYL)-BENZOFURAN- 6-YLOXY]-BUT-2-ENYL}-METHYL-AMINE | A,B,C | 1O6Q | 0.74 | ![]() |
R71![]() | [4-({6-[ALLYL(METHYL)AMINO]HEXYL}OXY)- 2-FLUOROPHENYL](4-BROMOPHENYL)METHANONE | A | 1W6J | 0.79 | ![]() |
R71![]() | [4-({6-[ALLYL(METHYL)AMINO]HEXYL}OXY)- 2-FLUOROPHENYL](4-BROMOPHENYL)METHANONE | A,B,C | 1GSZ | 0.79 | ![]() |
4SR![]() | (4S)-4-[3-(CYCLOPENTYLOXY)-4-METHOXYPHENYL]PYRROLIDIN- 2-ONE | A,B | 1XN0 | 0.72 | ![]() |