Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01754754
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 |
4SR![]() | (4S)-4-[3-(CYCLOPENTYLOXY)-4-METHOXYPHENYL]PYRROLIDIN- 2-ONE | A,B | 1XN0 | 0.8 | ![]() |
ROL![]() | ROLIPRAM | A,B,C,D | 1OYN | 0.8 | ![]() |
ROL![]() | ROLIPRAM | A,B | 1XMY | 0.8 | ![]() |
ROL![]() | ROLIPRAM | A,B,C,D | 1Q9M | 0.8 | ![]() |
ROL![]() | ROLIPRAM | A,B | 1RO6 | 0.8 | ![]() |
ROL![]() | ROLIPRAM | A,B | 1XN0 | 0.8 | ![]() |
ROL![]() | ROLIPRAM | A,B | 1TBB | 0.8 | ![]() |
HTA![]() | N-[3-(N'-HYDROXYCARBOXAMIDO)-2- (2-METHYLPROPYL)-PROPANOYL]-O-TYROSINE- N-METHYLAMIDE | A | 1FBL | 0.8 | ![]() |
ZHZ![]() | 2-(4-METHOXYPHENYL)ACETAMIDE | D,H | 2HKR | 0.8 | ![]() |
C27![]() | (6R)-2-amino-6-[2-(3'-methoxybiphenyl- 3-yl)ethyl]-3,6-dimethyl-5,6-dihydropyrimidin- 4(3H)-one | A | 2VA7 | 0.78 | ![]() |
E20![]() | 1-BENZYL-4-[(5,6-DIMETHOXY-1-INDANON- 2-YL)METHYL]PIPERIDINE | A | 1EVE | 0.78 | ![]() |
4MP![]() | 1-(4-METHOXYBENZOYL)-2-PYRROLIDINONE | A,B | 2AL5 | 0.78 | ![]() |
C61![]() | (2R,4S,5S,7S)-5-AMINO-N-BUTYL-4- HYDROXY-7-[4-METHOXY-3-(3-METHOXYPROPOXY)BENZYL]- 2,8-DIMETHYLNONANAMIDE | C,O | 2V10 | 0.77 | ![]() |
TF3![]() | N-(2-AMINOETHYL)-2-{3-CHLORO-4- [(4-ISOPROPYLBENZYL)OXY]PHENYL} ACETAMIDE | A | 2BU7 | 0.77 | ![]() |
DRR![]() | A,B | 3BXR | 0.77 | ![]() | |
BHP![]() | (S)-5-(4-BENZYLOXY-PHENYL)-4-(7- PHENYL-HEPTANOYLAMINO)-PENTANOIC ACID | A,B | 1J1A | 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 | 0.77 | ![]() |
H24![]() | (6S)-2-amino-6-(3'-methoxybiphenyl- 3-yl)-3,6-dimethyl-5,6-dihydropyrimidin- 4(3H)-one | A | 2VA6 | 0.76 | ![]() |
GGO![]() | (4R,5R)-5-AMINO-1-[2-(1,3-BENZODIOXOL- 5-YL)ETHYL]-4-(2,4,5-TRIFLUOROPHENYL)PIPERIDIN- 2-ONE | B | 2OQI | 0.76 | ![]() |
HA2![]() | 6-[{(2S)-2-AMINO-3-[4-(BENZYLOXY)PHENYL]PROPYL}(HYDROXY)AMINO]- 6-OXOHEXANOIC ACID) | A | 2VJ8 | 0.76 | ![]() |
MTJ![]() | N,O-DIMETHYL-L-TYROSINE | A,B | 1ATL | 0.76 | ![]() |
HQQ![]() | 5-METHYL-5-(4-PHENOXY-PHENYL)-PYRIMIDINE- 2,4,6-TRIONE | A,B,C | 1G4K | 0.76 | ![]() |
DRS![]() | (9S,12S)-9-(1-methylethyl)-7,10- dioxo-2-oxa-8,11-diazabicyclo[12.2.2]octadeca- 1(16),14,17-triene-12-carboxylic acid | A,B | 3BXS | 0.76 | ![]() |
11N![]() | 1-[1'-(3-phenylacryloyl)spiro[1- benzofuran-3,4'-piperidin]-5-yl]methanamine | A,B,C,D | 2ZEC | 0.76 | ![]() |
2TN![]() | 2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDE | A | 2OTF | 0.75 | ![]() |
2TN![]() | 2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDE | A | 2NUV | 0.75 | ![]() |
2TN![]() | 2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDE | A | 2OUB | 0.75 | ![]() |
C41![]() | ALISKIREN | C,O | 2V0Z | 0.75 | ![]() |
NOQ![]() | (1R,2R)-N-(2-AMINOETHYL)-2-{[(4- METHOXYPHENYL)SULFONYL]METHYL}CYCLOHEXANECARBOXAMIDE | A | 2F7D | 0.75 | ![]() |
CTX![]() | (Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)- PHENOXY]-N,N-DIMETHYLETHANAMINE | A,B,C | 1YA4 | 0.75 | ![]() |
R71![]() | [4-({6-[ALLYL(METHYL)AMINO]HEXYL}OXY)- 2-FLUOROPHENYL](4-BROMOPHENYL)METHANONE | A | 1W6J | 0.74 | ![]() |
R71![]() | [4-({6-[ALLYL(METHYL)AMINO]HEXYL}OXY)- 2-FLUOROPHENYL](4-BROMOPHENYL)METHANONE | A,B,C | 1GSZ | 0.74 | ![]() |
AGG![]() | TIROFIBAN | A,B | 2VDM | 0.74 | ![]() |
ZYA![]() | BENZOYL-TYROSINE-ALANINE-METHYL KETONE | A | 1AIM | 0.74 | ![]() |
PI7![]() | N-[3-(8-SEC-BUTYL-7,10-DIOXO-2- OXA-6,9-DIAZA-BICYCLO[11.2.2] HEPTADECA- 1(16),13(17),14-TRIEN-11-YAMINO)- 2-HYDROXY-1-(4-HYDROXY-BENZYL) - PROPYL]-3-METHYL-2-PROPIONYLAMINO- BUTYRAMIDE | A,B | 1B6P | 0.74 | ![]() |
ZHH![]() | 2-(4-METHOXYPHENYL)ETHANAMINE | D,H | 2HKR | 0.74 | ![]() |
F1I![]() | N-[1-(2,6-dimethoxybenzyl)piperidin- 4-yl]-4-sulfanylbutanamide | A | 2ZJI | 0.74 | ![]() |
K21![]() | 4-[3-{1-(4-BENZYL)PIPERODINYL}PROPIONYL]- 7-METHOXY-2,3,4,5-TERTRAHYDRO-1,4- BENZOTHIAZEPINE | A,B | 1HAK | 0.74 | ![]() |
PI4![]() | 1-[2-(8-CARBAMOYLMETHYL-6,9-DIOXO- 2-OXA-7,10-DIAZA-BICYCLO[11.2.2]HEPTADECA- 1(16),13(17),14-TRIEN-11-YL)-2- HYDROXY-ETHYL]-PIPERIDINE-2-CARBOXYLIC ACID TERT- BUTYLAMIDE | A,B | 1B6L | 0.74 | ![]() |
SB8![]() | 2-(3-BENZOYLPHENOXY)ETHYL(HYDROXY)FORMAMIDE | A | 2AIA | 0.74 | ![]() |
3MB![]() | 3-METHOXYBENZAMIDE | A | 3PAX | 0.74 | ![]() |
401![]() | (2S)-2-{3-[({[2-fluoro-4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]- 4-methoxybenzyl}butanoic acid | A,B | 2ZNQ | 0.74 | ![]() |
YTT![]() | (3S,6S)-3,6-bis(4-hydroxybenzyl)piperazine- 2,5-dione | A | 3G5H | 0.74 | ![]() |
LZP![]() | 4,4'-piperazine-1,4-diylbis{1-[3- (benzyloxy)phenyl]-4-oxobutane- 1,3-dione} | A | 3EAX | 0.74 | ![]() |
LY2![]() | 2-MORPHOLIN-4-YL-7-PHENYL-4H-CHROMEN- 4-ONE | A | 1YI3 | 0.73 | ![]() |
LY2![]() | 2-MORPHOLIN-4-YL-7-PHENYL-4H-CHROMEN- 4-ONE | A | 1E7V | 0.73 | ![]() |
DEO![]() | A,B | 1ROS | 0.73 | ![]() | |
SB3![]() | 1,3-DIPHENYL-1-PROPYL-1-(3,3-DIMETHYL- 1,2-DIOXYPENTYL)-2-PIPERIDINE CARBOXYLATE | A | 1FKG | 0.73 | ![]() |
CMZ![]() | (2S)-1-(2,5-dimethylphenoxy)-3- morpholin-4-ylpropan-2-ol | A | 2OF0 | 0.73 | ![]() |
2NI![]() | N-{2-[(4'-CYANO-1,1'-BIPHENYL-4- YL)OXY]ETHYL}-N'-HYDROXY-N-METHYLUREA | A | 1ZP5 | 0.73 | ![]() |
SFX![]() | (3S)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan- 1-amine | A | 3GWW | 0.73 | ![]() |
OHT![]() | 4-HYDROXYTAMOXIFEN | A | 3ERT | 0.73 | ![]() |
OHT![]() | 4-HYDROXYTAMOXIFEN | A,B | 1S9Q | 0.73 | ![]() |
OHT![]() | 4-HYDROXYTAMOXIFEN | A,B | 1VJB | 0.73 | ![]() |
OHT![]() | 4-HYDROXYTAMOXIFEN | A,B,C,P,R | 2JF9 | 0.73 | ![]() |
OHT![]() | 4-HYDROXYTAMOXIFEN | A,B,C,D,E,F | 2GPV | 0.73 | ![]() |
OHT![]() | 4-HYDROXYTAMOXIFEN | A | 2GPU | 0.73 | ![]() |
OHT![]() | 4-HYDROXYTAMOXIFEN | A | 2P7Z | 0.73 | ![]() |
OHT![]() | 4-HYDROXYTAMOXIFEN | A,B | 2BJ4 | 0.73 | ![]() |
OHT![]() | 4-HYDROXYTAMOXIFEN | A,B | 2FSZ | 0.73 | ![]() |
RFX![]() | (3R)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan- 1-amine | A | 3GWV | 0.73 | ![]() |
R23![]() | METHYL-[4-(4-PIPERIDINE-1-YLMETHYL- PHENYL)-CYCLOHEXYL]-CARBAMINIC ACID- (4-CHLOROPHENYL)-ESTER | A,B,C | 1O79 | 0.73 | ![]() |
C1N![]() | N-[(BENZYLOXY)CARBONYL]LEUCYL-N~1~- [3-FLUORO-1-(4-HYDROXYBENZYL)-2- OXOPROPYL]LEUCINAMIDE | A | 1ZCM | 0.73 | ![]() |
BBB![]() | 1-((2-HYDROXYETHOXY)METHYL)-5-(3- (BENZYLOXY)BENZYL)-6-HYDROXYPYRIMIDINE- 2,4(1H,3H)-DIONE | A,B,C,D,E,F | 1U1G | 0.73 | ![]() |
NPS![]() | (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid | A | 2VDB | 0.73 | ![]() |
TXF![]() | (Z)-4-(1-{4-[2-(DIMETHYLAMINO)ETHOXY]PHENYL}- 5-HYDROXY-2-PHENYLPENT-1-ENYL)PHENOL | A,B,C,D,E | 2EWP | 0.73 | ![]() |
Y12![]() | 4-{(1E)-3-OXO-3-[(2-PHENYLETHYL)AMINO]PROP- 1-EN-1-YL}-1,2-PHENYLENE DIACETATE | A | 2EW5 | 0.73 | ![]() |
K55![]() | (2S)-2-{4-butoxy-3-[({[2-fluoro- 4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]benzyl}butanoic acid | A,B | 2ZNP | 0.72 | ![]() |
0EZ![]() | tert-butyl [(1S,2S)-1-benzyl-2- hydroxy-3-{[(8S,11R)-8-[(1R)-1- methylpropyl]-7,10-dioxo-2-oxa- 6,9-diazabicyclo[11.2.2]heptadeca- 1(15),13,16-trien-11-yl]amino}propyl]carbamate | A,B | 1MTR | 0.72 | ![]() |
AAY![]() | 8-[2-((2S)-4-HYDROXY-1-{[5-(HYDROXYMETHYL)- 6-METHOXY-2-NAPHTHYL]METHYL}-6- OXOPIPERIDIN-2-YL)ETHYL]-3,7-DIMETHYL- 1,2,3,7,8,8A-HEXAHYDRONAPHTHALEN- 1-YL 2-METHYLBUTANOATE | A,B | 1XDD | 0.72 | ![]() |
TYP![]() | CYCLO-(L-TYROSINE-L-PROLINE) INHIBITOR | A,B | 1W1Y | 0.72 | ![]() |
MPP![]() | 3-(3,4-DIMETHOXYPHENYL)PROPIONIC ACID | A,B | 2AY3 | 0.72 | ![]() |
TAX![]() | (Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)- PHENOXY]-N,N-DIMETHYLETHANAMINIUM | A | 1FJ5 | 0.72 | ![]() |
NLT![]() | N-DODECANOYL-L-TYROSINE | A,B,C,D,E,F, G,H | 2G0B | 0.72 | ![]() |
C3D![]() | (5R,6S)-6-PHENYL-5-[4-(2-PYRROLIDIN- 1-YLETHOXY)PHENYL]-5,6,7,8-TETRAHYDRONAPHTHALEN- 2-OL | A | 2OUZ | 0.72 | ![]() |
NBF![]() | [(2-ETHOXY-1-NAPHTHOYL)AMINO]METHYLBORONIC ACID | A | 1NY0 | 0.72 | ![]() |
NBF![]() | [(2-ETHOXY-1-NAPHTHOYL)AMINO]METHYLBORONIC ACID | A,B | 1YMS | 0.72 | ![]() |
183![]() | 1-((2-HYDROXYETHOXY)METHYL)-5-(3- (BENZYLOXY)BENZYL)PYRIMIDINE-2,4(1H,3H)- DIONE | A,B,C,D,E,F | 1U1F | 0.72 | ![]() |
PI6![]() | [1-BENZYL-3-(8-SEC-BUTYL-7,10-DIOXO- 2-OXA-6,9-DIAZA-BICYCLO[11.2.2] HEPTADECA- 1(16),13(17),14-TRIEN-11-YLAMINO)- 2-HYDROXY-PROPYL] -CARBAMIC ACID TERT- BUTYL ESTER | A,B | 1B6M | 0.72 | ![]() |
PI5![]() | N-[3-(8-SEC-BUTYL-7,10-DIOXO-2- OXA-6,9-DIAZA-BICYCLO[11.2.2]HEPTADECA- 1(16),13(17),14- TRIEN-11-YLAMINO)- 2-HYDROXY-1-(4-HYDROXY-BENZYL)- PROPYL]-3-METHYL-2- (2-OXO-PYRROLIDIN- 1-YL)-BUTYRAMIDE | A,B | 1B6K | 0.72 | ![]() |
R88![]() | (4-BROMOPHENYL)[4-({(2E)-4-[CYCLOPROPYL(METHYL)AMINO]BUT- 2-ENYL}OXY)PHENYL]METHANONE | A,B,C | 1H36 | 0.72 | ![]() |
DCH![]() | 3-(7-DIAMINOMETHYL-NAPHTHALEN-2- YL)-PROPIONIC ACID ETHYL ESTER | H | 1UVU | 0.71 | ![]() |
NN4![]() | (1S,3R,4S,5S,7S)-4-{[2-(4-METHOXYPHENOXY)- 2-METHYLPROPANOYL]AMINO}ADAMANTANE- 1-CARBOXAMIDE | A,B,C,D,E,F, G,H | 2IRW | 0.71 | ![]() |
PZM![]() | 1-(4-METHOXYPHENYL)METHANAMINE | A,D,H | 2HJB | 0.71 | ![]() |
TVN![]() | N-{(2R)-4-(methylamino)-4-oxo-2- [4-(phosphonooxy)benzyl]butanoyl}- L-valyl-L-aspartamide | A | 3C7I | 0.71 | ![]() |
YVN![]() | N-({(1R,2R,3S)-2-(methylcarbamoyl)- 3-[4-(phosphonooxy)phenyl]cyclopropyl}carbonyl)- L-valyl-L-aspartamide | A,B | 2HUW | 0.71 | ![]() |
SGI![]() | 3-(4-hydroxyphenyl)propanamide | A,B | 2R9K | 0.71 | ![]() |
MZ9![]() | N-[(1S,2R)-1-BENZYL-2-HYDROXY-3- {[(4-METHOXYPHENYL)SULFONYL][(2S)- 2-METHYLBUTYL]AMINO}PROPYL]-4-OXOHEXANAMIDE | A,B | 2QI7 | 0.71 | ![]() |
EMF![]() | ethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylate | A,B | 2QZZ | 0.71 | ![]() |
EMF![]() | ethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylate | A,B | 2R2G | 0.71 | ![]() |
296![]() | (3R)-3-amino-2,2-difluoro-3-(4- methoxyphenyl)propanoic acid | A,B | 2RJS | 0.71 | ![]() |
L01![]() | 3-[({(1S,2R)-1-BENZYL-2-HYDROXY- 3-[(3-METHOXYBENZYL)AMINO]PROPYL}AMINO)(HYDROXY)METHYL]- N,N-DIPROPYLBENZAMIDE | A | 1W51 | 0.71 | ![]() |
REN![]() | (S)-reticuline | A | 3FWA | 0.71 | ![]() |
REN![]() | (S)-reticuline | A | 3D2D | 0.71 | ![]() |
CMQ![]() | N~2~-[(BENZYLOXY)CARBONYL]-N-[(1S,2S)- 2-HYDROXY-1-(4-HYDROXYBENZYL)PROPYL]- L-LEUCINAMIDE | A,B,C,D,E,F, G,H,I,J,K,L, M,N | 2FZS | 0.71 | ![]() |
R02![]() | {4-[((1S,2S)-2-{[ALLYL(CYCLOPROPYL)AMINO]METHYL}CYCLOPROPYL)METHOXY]PHENYL}(4- BROMOPHENYL)METHANONE | A,B,C | 1H37 | 0.71 | ![]() |
TRT![]() | FRAGMENT OF TRITON X-100 | A,E | 2I0U | 0.71 | ![]() |
TRT![]() | FRAGMENT OF TRITON X-100 | A,B | 1OIZ | 0.71 | ![]() |
C39![]() | N-[(2S,4S,5S,7R)-4-AMINO-8-(BUTYLAMINO)- 5-HYDROXY-7-METHYL-2-(1-METHYLETHYL)- 8-OXOOCTYL]-2-(3-METHOXYPROPOXY)BENZAMIDE | C,O | 2V12 | 0.7 | ![]() |
TOL![]() | TOLRESTAT | A | 2PDL | 0.7 | ![]() |
TOL![]() | TOLRESTAT | A | 2FZD | 0.7 | ![]() |
TOL![]() | TOLRESTAT | A | 2FZB | 0.7 | ![]() |
TOL![]() | TOLRESTAT | A | 1AH3 | 0.7 | ![]() |
TOL![]() | TOLRESTAT | X | 1ZUA | 0.7 | ![]() |
TOL![]() | TOLRESTAT | A | 1AE4 | 0.7 | ![]() |
AB8![]() | (1S,3R,8AS)-8-(2-{(4S,6S)-3-(4- HYDROXY-3-METHOXYBENZYL)-4-[2-(METHYLAMINO)- 2-OXOETHYL]-2-OXO-1,3-OXAZINAN- 6-YL}ETHYL)-3,7-DIMETHYL-1,2,3,7,8,8A- HEXAHYDRONAPHTHALEN-1-YL (2R)-2- METHYLBUTANOATE | A,B | 1XDG | 0.7 | ![]() |
CM4![]() | (2R,3R,4S)-3-(4-HYDROXYPHENYL)- 4-METHYL-2-[4-(2-PYRROLIDIN-1-YLETHOXY)PHENYL]CHROMAN- 6-OL | A | 1YIM | 0.7 | ![]() |
PI1![]() | A,B | 1B6J | 0.7 | ![]() | |
TON![]() | 2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOL | A,B | 1SEZ | 0.7 | ![]() |
CIO![]() | CILOMILAST | A,B | 1XOM | 0.7 | ![]() |
CIO![]() | CILOMILAST | A,B | 1XLX | 0.7 | ![]() |
MAX![]() | MATAIRESINOL | A | 2BGM | 0.7 | ![]() |
TMS![]() | N-PROPYL-4-[(E)-2-(3,4,5-TRIMETHOXY- PHENYL)-VINYL]-BENZAMIDE | A,B | 1X6W | 0.7 | ![]() |
ABY![]() | N-(4-AMINOBUTANOYL)-S-(4-METHOXYBENZYL)- L-CYSTEINYLGLYCINE | A,B | 1PL2 | 0.7 | ![]() |
ABY![]() | N-(4-AMINOBUTANOYL)-S-(4-METHOXYBENZYL)- L-CYSTEINYLGLYCINE | A,B | 1PL1 | 0.7 | ![]() |
LRG![]() | (2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid | A | 3B3K | 0.7 | ![]() |
LRG![]() | (2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid | A | 3D6D | 0.7 | ![]() |
GRR![]() | (2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acid | A | 3CDS | 0.7 | ![]() |
348![]() | 4-[(1R,3AS,4R,8AS,8BR)-1-ISOPROPYL- 2-(4-METHOXYBENZYL)-3-OXODECAHYDROPYRROLO[3,4- A]PYRROLIZIN-4-YL]BENZENECARBOXIMIDAMIDE | H | 2CF9 | 0.7 | ![]() |