Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01590761
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 |
DDC | 7-HYDROXY-2-PHENYL-CHROMAN-4-ONE | A,B | 1FM8 | 0.71 | |
R36 | 4-AMINO-N-{4-[2-(2,6-DIMETHYL-PHENOXY)- ACETYLAMINO]-3-HYDROXY-1-ISOBUTYL- 5-PHENYL-PENTYL}-BENZAMIDE | A | 1LEE | 0.72 | |
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 | |
LLB | [6-hydroxy-2-(4-hydroxyphenyl)- 1-benzothien-3-yl]{4-[2-(4-methylpiperidin- 1-yl)ethoxy]phenyl}methanone | A,B | 2R6W | 0.72 | |
AP1 | {3-[3-(3,4-DIMETHOXY-PHENYL)-1- (1-{1-[2-(3,4,5-TRIMETHOXY-PHENYL)- BUTYRYL]-PIPERIDIN-2YL}-VINYLOXY)- PROPYL]-PHENOXY}-ACETIC ACID | A,B | 1BL4 | 0.73 | |
E20 | 1-BENZYL-4-[(5,6-DIMETHOXY-1-INDANON- 2-YL)METHYL]PIPERIDINE | A | 1EVE | 0.74 | |
DFL | 2-(4-HYDROXY-PHENYL)-CHROMAN-4- ONE | A,B | 1JEP | 0.71 | |
2FF | (5-(aminomethyl)-2H-spiro[benzofuran- 3,4'-piperidine]-1'-yl)(5-(phenylethynyl)furan- 2-yl)methanone | A,B,C,D | 2ZA5 | 0.73 | |
BHF | 2-PHENYL-4H-BENZO[H]CHROMEN-4-ONE | A | 2HI4 | 0.72 | |
C3D | (5R,6S)-6-PHENYL-5-[4-(2-PYRROLIDIN- 1-YLETHOXY)PHENYL]-5,6,7,8-TETRAHYDRONAPHTHALEN- 2-OL | A | 2OUZ | 0.71 | |
DEO | A,B | 1ROS | 0.74 | ||
FRR | (3R,5Z,8S,9S,11E)-8,9,16-TRIHYDROXY- 14-METHOXY-3-METHYL-3,4,9,10-TETRAHYDRO- 1H-2-BENZOXACYCLOTETRADECINE-1,7(8H)- DIONE | A | 2E14 | 0.7 | |
DFV | 7-HYDROXY-2-(4-HYDROXY-PHENYL)- CHROMAN-4-ONE | B,C | 1JX1 | 0.71 | |
DFV | 7-HYDROXY-2-(4-HYDROXY-PHENYL)- CHROMAN-4-ONE | A,B | 1JX0 | 0.71 | |
DFV | 7-HYDROXY-2-(4-HYDROXY-PHENYL)- CHROMAN-4-ONE | A,B | 1FM7 | 0.71 | |
NAR | NARINGENIN | A,B | 2UXU | 0.71 | |
NAR | NARINGENIN | A | 2BRT | 0.71 | |
NAR | NARINGENIN | A | 1CGK | 0.71 | |
NAR | NARINGENIN | A,B | 1EYQ | 0.71 | |
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 | |
KMP | 3,5,7-TRIHYDROXY-2-(4-HYDROXYPHENYL)- 4H-CHROMEN-4-ONE | A,B,C,D | 1H1M | 0.71 | |
KMP | 3,5,7-TRIHYDROXY-2-(4-HYDROXYPHENYL)- 4H-CHROMEN-4-ONE | A | 2C1Z | 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 | 0.71 | |
32P | 3-{2-[(5-AMINOPENTYL)AMINO]-2-OXOETHOXY}- 5-({[1-(4-FLUOROPHENYL)ETHYL]AMINO}CARBONYL)PHENYL PHENYLMETHANESULFONATE | A | 1TQF | 0.73 | |
FSE | 3,7,3',4'-TETRAHYDROXYFLAVONE | B | 1XO2 | 0.71 | |
DBO | N-{(1S,2R)-1-BENZYL-2-HYDROXY-3- [(3-METHYLBENZYL)AMINO]PROPYL}DIBENZO[B,F]OXEPINE- 10-CARBOXAMIDE | A,B,C,D | 2EWY | 0.7 | |
CS9 | N'-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)- 2-HYDROXY-2-[(2R,4R)-4-PHENOXYPYRROLIDIN- 2-YL]ETHYL}-5-METHYL-N,N-DIPROPYLISOPHTHALAMIDE | A,B | 2QMF | 0.7 | |
2NI | N-{2-[(4'-CYANO-1,1'-BIPHENYL-4- YL)OXY]ETHYL}-N'-HYDROXY-N-METHYLUREA | A | 1ZP5 | 0.72 | |
R02 | {4-[((1S,2S)-2-{[ALLYL(CYCLOPROPYL)AMINO]METHYL}CYCLOPROPYL)METHOXY]PHENYL}(4- BROMOPHENYL)METHANONE | A,B,C | 1H37 | 0.73 | |
L01 | 3-[({(1S,2R)-1-BENZYL-2-HYDROXY- 3-[(3-METHOXYBENZYL)AMINO]PROPYL}AMINO)(HYDROXY)METHYL]- N,N-DIPROPYLBENZAMIDE | A | 1W51 | 0.74 | |
R71 | [4-({6-[ALLYL(METHYL)AMINO]HEXYL}OXY)- 2-FLUOROPHENYL](4-BROMOPHENYL)METHANONE | A | 1W6J | 0.77 | |
R71 | [4-({6-[ALLYL(METHYL)AMINO]HEXYL}OXY)- 2-FLUOROPHENYL](4-BROMOPHENYL)METHANONE | A,B,C | 1GSZ | 0.77 | |
GEN | GENISTEIN | A | 1QKM | 0.71 | |
GEN | GENISTEIN | A,B | 1X7J | 0.71 | |
GEN | GENISTEIN | A,B | 2QA8 | 0.71 | |
GEN | GENISTEIN | A | 1X7R | 0.71 | |
CS5 | N'-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)- 2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}- 5-METHYL-N,N-DIPROPYLISOPHTHALAMIDE | A,B | 2QK5 | 0.72 | |
L41 | {4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenoxy}acetic acid | A,B | 3D5F | 0.72 | |
RAL | RALOXIFENE | A,B | 2JFA | 0.72 | |
RAL | RALOXIFENE | A,B | 1ERR | 0.72 | |
RAL | RALOXIFENE | A,B | 2QXS | 0.72 | |
RAL | RALOXIFENE | A | 1QKN | 0.72 | |
LLC | [6-hydroxy-2-(4-hydroxyphenyl)- 1-benzothien-3-yl][4-(2-pyrrolidin- 1-ylethoxy)phenyl]methanone | A,B | 2R6Y | 0.73 | |
LZP | 4,4'-piperazine-1,4-diylbis{1-[3- (benzyloxy)phenyl]-4-oxobutane- 1,3-dione} | A | 3EAX | 0.78 | |
3MB | 3-METHOXYBENZAMIDE | A | 3PAX | 0.72 | |
GRR | (2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acid | A | 3CDS | 0.73 | |
BZF | BENZOFURAN | A | 182L | 0.7 | |
886 | N-({4'-[(4-isobutyrylphenoxy)methyl]biphenyl- 4-yl}sulfonyl)-D-valine | A,B,C,D | 2RJP | 0.74 | |
AGI | 5,7-dihydroxy-2-(4-hydroxyphenyl)- 4H-chromen-4-one | A,B,C,D,E,F | 3CF9 | 0.7 | |
QSO | 5,7-dihydroxy-3-(4-methoxyphenyl)- 4H-chromen-4-one | A,B | 2QYO | 0.72 | |
AZ2 | (2S)-2-ETHOXY-3-[4-(2-{4-[(METHYLSULFONYL)OXY]PHENYL}ETHOXY)PHENYL]PROPANOIC ACID | A,B | 1I7I | 0.71 | |
AZ2 | (2S)-2-ETHOXY-3-[4-(2-{4-[(METHYLSULFONYL)OXY]PHENYL}ETHOXY)PHENYL]PROPANOIC ACID | A | 1I7G | 0.71 | |
ZHZ | 2-(4-METHOXYPHENYL)ACETAMIDE | D,H | 2HKR | 0.71 | |
R17 | ALLYL-{4-[3-(4-BROMO-PHENYL)-BENZOFURAN- 6-YLOXY]-BUT-2-ENYL}-METHYL-AMINE | A,B,C | 1O6Q | 0.7 | |
SB8 | 2-(3-BENZOYLPHENOXY)ETHYL(HYDROXY)FORMAMIDE | A | 2AIA | 0.85 | |
Y12 | 4-{(1E)-3-OXO-3-[(2-PHENYLETHYL)AMINO]PROP- 1-EN-1-YL}-1,2-PHENYLENE DIACETATE | A | 2EW5 | 0.7 | |
QUE | 3,5,7,3',4'-PENTAHYDROXYFLAVONE | A,B,C,D,E,F | 3BXX | 0.7 | |
QUE | 3,5,7,3',4'-PENTAHYDROXYFLAVONE | A | 2O3P | 0.7 | |
QUE | 3,5,7,3',4'-PENTAHYDROXYFLAVONE | A,B | 2UXH | 0.7 | |
QUE | 3,5,7,3',4'-PENTAHYDROXYFLAVONE | A | 1GP6 | 0.7 | |
QUE | 3,5,7,3',4'-PENTAHYDROXYFLAVONE | A | 2C9Z | 0.7 | |
QUE | 3,5,7,3',4'-PENTAHYDROXYFLAVONE | A,B,C,D,E,F, G,H,I,J,K,L, M,N | 2JJ2 | 0.7 | |
QUE | 3,5,7,3',4'-PENTAHYDROXYFLAVONE | A | 3BPT | 0.7 | |
QUE | 3,5,7,3',4'-PENTAHYDROXYFLAVONE | A,B,C,D,E,F | 3CF8 | 0.7 | |
QUE | 3,5,7,3',4'-PENTAHYDROXYFLAVONE | A,B | 2HCK | 0.7 | |
QUE | 3,5,7,3',4'-PENTAHYDROXYFLAVONE | A,B,C,D | 1H1I | 0.7 | |
QUE | 3,5,7,3',4'-PENTAHYDROXYFLAVONE | A | 1E8W | 0.7 | |
TXF | (Z)-4-(1-{4-[2-(DIMETHYLAMINO)ETHOXY]PHENYL}- 5-HYDROXY-2-PHENYLPENT-1-ENYL)PHENOL | A,B,C,D,E | 2EWP | 0.77 | |
C01 | (2S)-(4-ISOPROPYLPHENYL)[(2-METHYL- 3-OXO-5,7-DIPROPYL-2,3-DIHYDRO- 1,2-BENZISOXAZOL-6-YL)OXY]ACETATE | A | 1ZEO | 0.7 | |
DTC | BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2- BENZOPYRONE] | A | 2Z9C | 0.71 | |
DTC | BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2- BENZOPYRONE] | A,B | 1OOQ | 0.71 | |
DTC | BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2- BENZOPYRONE] | A,B,C,D,E,F, G,H | 2F1O | 0.71 | |
R37 | 3-AMINO-N-{4-[2-(2,6-DIMETHYL-PHENOXY)- ACETYLAMINO]-3-HYDROXY-1-ISOBUTYL- 5-PHENYL-PENTYL}-BENZAMIDE | A | 1LF2 | 0.72 | |
LRG | (2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid | A | 3B3K | 0.74 | |
LRG | (2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid | A | 3D6D | 0.74 | |
K55 | (2S)-2-{4-butoxy-3-[({[2-fluoro- 4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]benzyl}butanoic acid | A,B | 2ZNP | 0.71 | |
AI7 | 3-(heptyloxy)benzoic acid | A,B | 2O3Z | 0.73 | |
183 | 1-((2-HYDROXYETHOXY)METHYL)-5-(3- (BENZYLOXY)BENZYL)PYRIMIDINE-2,4(1H,3H)- DIONE | A,B,C,D,E,F | 1U1F | 0.72 | |
4MP | 1-(4-METHOXYBENZOYL)-2-PYRROLIDINONE | A,B | 2AL5 | 0.72 | |
LY2 | 2-MORPHOLIN-4-YL-7-PHENYL-4H-CHROMEN- 4-ONE | A | 1YI3 | 0.76 | |
LY2 | 2-MORPHOLIN-4-YL-7-PHENYL-4H-CHROMEN- 4-ONE | A | 1E7V | 0.76 | |
SAK | (2S)-5-hydroxy-2-(4-hydroxyphenyl)- 7-methoxy-2,3-dihydro-4H-chromen- 4-one | A,B,C,D,E,F | 3D04 | 0.72 | |
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 | 0.72 | |
G24 | [4-(3-BENZYL-4-HYDROXYBENZYL)-3,5- DIMETHYLPHENOXY]ACETIC ACID | A | 1Q4X | 0.71 | |
NBF | [(2-ETHOXY-1-NAPHTHOYL)AMINO]METHYLBORONIC ACID | A | 1NY0 | 0.75 | |
NBF | [(2-ETHOXY-1-NAPHTHOYL)AMINO]METHYLBORONIC ACID | A,B | 1YMS | 0.75 | |
BHP | (S)-5-(4-BENZYLOXY-PHENYL)-4-(7- PHENYL-HEPTANOYLAMINO)-PENTANOIC ACID | A,B | 1J1A | 0.73 | |
DRR | A,B | 3BXR | 0.71 | ||
HMO | 4'-HYDROXY-7-METHOXYISOFLAVONE | A | 1FP2 | 0.72 | |
MR0 | N~3~-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)- 2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}- N~1~,N~1~-DIPROPYLBENZENE-1,3,5- TRICARBOXAMIDE | A,B,C | 2P83 | 0.72 | |
R88 | (4-BROMOPHENYL)[4-({(2E)-4-[CYCLOPROPYL(METHYL)AMINO]BUT- 2-ENYL}OXY)PHENYL]METHANONE | A,B,C | 1H36 | 0.78 | |
BBB | 1-((2-HYDROXYETHOXY)METHYL)-5-(3- (BENZYLOXY)BENZYL)-6-HYDROXYPYRIMIDINE- 2,4(1H,3H)-DIONE | A,B,C,D,E,F | 1U1G | 0.72 |