Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00412719
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 |
GK5![]() | N~3~-cyclopropyl-N~4~'-(cyclopropylmethyl)- 6-methylbiphenyl-3,4'-dicarboxamide | A | 3D7Z | 0.72 | ![]() |
PG9![]() | D-PHENYLGLYCINE | A,B,G,H | 10GS | 0.7 | ![]() |
PG9![]() | D-PHENYLGLYCINE | A,B,C,D | 2B4K | 0.7 | ![]() |
ARQ![]() | BENZOYLAMINO-BENZYL-METHYL-[2-HYDROXY- 3-[1-METHYL-ETHYL-OXY-N-FORMAMIDYL]- 4-PHENYL-BUTYL]-AMMONIUM | A | 3AID | 0.72 | ![]() |
PFF![]() | 4-FLUORO-L-PHENYLALANINE | A | 3F3C | 0.71 | ![]() |
PFF![]() | 4-FLUORO-L-PHENYLALANINE | A,C,E,F | 2UUE | 0.71 | ![]() |
PFF![]() | 4-FLUORO-L-PHENYLALANINE | A | 1ZNT | 0.71 | ![]() |
PFF![]() | 4-FLUORO-L-PHENYLALANINE | F,H | 1OL1 | 0.71 | ![]() |
PFF![]() | 4-FLUORO-L-PHENYLALANINE | A,C,F,H | 2C5V | 0.71 | ![]() |
PFF![]() | 4-FLUORO-L-PHENYLALANINE | E,F | 1OL2 | 0.71 | ![]() |
BFN![]() | 5-(acetylamino)-2,6-anhydro-3,5,9- trideoxy-3-fluoro-9-[(phenylcarbonyl)amino]- D-arabino-L-galacto-nononic acid | A | 3B69 | 0.7 | ![]() |
FRF![]() | PHE-REDUCED-PHE | A,I | 1GVX | 0.72 | ![]() |
SP8![]() | N-{(1S)-3-[(4-aminobutyl)amino]- 1-methylpropyl}benzamide | A,B | 3CNS | 0.72 | ![]() |
MPQ![]() | N-METHYL-ALPHA-PHENYL-GLYCINE | D | 1D6E | 0.72 | ![]() |
316![]() | N'-[(1S,2S)-2-[(2S)-4-benzyl-3- oxopiperazin-2-yl]-1-(3,5-difluorobenzyl)- 2-hydroxyethyl]-5-methyl-N,N-dipropylbenzene- 1,3-dicarboxamide | A,B | 3CIC | 0.7 | ![]() |
FPB![]() | N-({(2S)-1-[(3R)-3-AMINO-4-(2-FLUOROPHENYL)BUTANOYL]PYRROLIDIN- 2-YL}METHYL)BENZAMIDE | A,B | 2BUB | 0.77 | ![]() |
BFS![]() | N-[1-(4-BROMOPHENYL)ETHYL]-5-FLUORO SALICYLAMIDE | A | 1STD | 0.81 | ![]() |
BFS![]() | N-[1-(4-BROMOPHENYL)ETHYL]-5-FLUORO SALICYLAMIDE | A,B,C | 4STD | 0.81 | ![]() |
U1N![]() | 4-[(3R)-3-{[2-(4-FLUOROPHENYL)- 2-OXOETHYL]AMINO}BUTYL]BENZAMIDE | A,B | 2OGZ | 0.74 | ![]() |
IFB![]() | N-[(2',4'-DIFLUORO-4-HYDROXY-5- IODOBIPHENYL-3-YL)CARBONYL]-BETA- ALANINE | A,B | 3FCB | 0.74 | ![]() |
4BA![]() | 4-[(2-CARBOXY-ETHYLAMINO)-METHYL]- BENZOIC ACID | C | 1FAV | 0.75 | ![]() |
DBZ![]() | 3-(BENZOYLAMINO)-L-ALANINE | A,B,C,D | 1SN9 | 0.79 | ![]() |
DBZ![]() | 3-(BENZOYLAMINO)-L-ALANINE | A,B | 1SNE | 0.79 | ![]() |
DBZ![]() | 3-(BENZOYLAMINO)-L-ALANINE | A,B,C,D | 1SNA | 0.79 | ![]() |
DBZ![]() | 3-(BENZOYLAMINO)-L-ALANINE | A,B | 1XOF | 0.79 | ![]() |
BJP![]() | (1R)-2-PHENYLACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACID | A | 1ERO | 0.77 | ![]() |
MN7![]() | 1-CARBOXY-4-ISOBUTYLAMINOMETHYLBENZENE | N | 1NLO | 0.72 | ![]() |
HPI![]() | N-(1-CARBOXY-3-PHENYLPROPYL)PHENYLALANYL- ALPHA-ASPARAGINE | A | 1U4G | 0.74 | ![]() |
BR4![]() | 6-PHENYL-4(R)-(7-PHENYL-HEPTANOYLAMINO)- HEXANOIC ACID | A | 1KQU | 0.76 | ![]() |
TIN![]() | A,B | 1N94 | 0.71 | ![]() | |
3B4![]() | 2-(cyclohexylamino)benzoic acid | A,B | 3B4P | 0.71 | ![]() |
R01![]() | (4'-{[ALLYL(METHYL)AMINO]METHYL}- 1,1'-BIPHENYL-4-YL)(4-BROMOPHENYL)METHANONE | A,B,C | 1H35 | 0.7 | ![]() |
VBP![]() | 4-({3-[(2R)-2-amino-2-carboxyethyl]- 2,6-dioxo-3,6-dihydropyrimidin- 1(2H)-yl}methyl)benzoic acid | B,E,G,H,J,L, N,P | 3H06 | 0.7 | ![]() |
YC2![]() | N-{[(1S)-1-carboxy-5-{[(4-iodophenyl)carbonyl]amino}pentyl]carbamoyl}- L-glutamic acid | A | 3D7H | 0.73 | ![]() |
SX5![]() | 4-[(4-bromo-2-{[(3R,5S)-3,5-dimethylpiperidin- 1-yl]carbonyl}phenyl)amino]-4-oxobutanoic acid | A,B | 3CJ4 | 0.74 | ![]() |
37U![]() | D-phenylalanyl-N-(3-fluorobenzyl)- L-prolinamide | H,I | 2ZDV | 0.71 | ![]() |
AJH![]() | 4-({4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]- 1,4-diazepan-1-yl}carbonyl)benzoic acid | A,B | 3EIO | 0.78 | ![]() |
KEU![]() | N-{4-[(1R)-4-[(2R,4R,5S)-2,4-DIAMINO- 6-OXOHEXAHYDROPYRIMIDIN-5-YL]-1- (2,2,2-TRIFLUORO-1,1-DIHYDROXYETHYL)BUTYL]BENZOYL}- D-GLUTAMIC ACID | A,B | 1NJS | 0.71 | ![]() |
KEU![]() | N-{4-[(1R)-4-[(2R,4R,5S)-2,4-DIAMINO- 6-OXOHEXAHYDROPYRIMIDIN-5-YL]-1- (2,2,2-TRIFLUORO-1,1-DIHYDROXYETHYL)BUTYL]BENZOYL}- D-GLUTAMIC ACID | A,B,C,D | 1RBY | 0.71 | ![]() |
KEU![]() | N-{4-[(1R)-4-[(2R,4R,5S)-2,4-DIAMINO- 6-OXOHEXAHYDROPYRIMIDIN-5-YL]-1- (2,2,2-TRIFLUORO-1,1-DIHYDROXYETHYL)BUTYL]BENZOYL}- D-GLUTAMIC ACID | A,B,C,D | 1RBQ | 0.71 | ![]() |
RPR![]() | A | 1F0U | 0.74 | ![]() | |
RPR![]() | A | 1EZQ | 0.74 | ![]() | |
ZAE![]() | N-methyl-D-phenylalanine | H,I,R | 1TBZ | 0.7 | ![]() |
IAM![]() | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XY5 | 0.73 | ![]() |
IAM![]() | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XY8 | 0.73 | ![]() |
IAM![]() | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XY9 | 0.73 | ![]() |
IAM![]() | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XXZ | 0.73 | ![]() |
IAM![]() | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XY4 | 0.73 | ![]() |
IAM![]() | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XY6 | 0.73 | ![]() |
TPI![]() | 4-CARBAMOYL-4-{[6-(DIFLUORO-PHOSPHONO- METHYL)-NAPHTHALENE-2-CARBONYL]- AMINO}-BUTYRIC ACID | A | 1BZC | 0.71 | ![]() |
S2D![]() | N-BENZOYL-D-ALANINE | A,B | 2JCI | 0.78 | ![]() |
ING![]() | D-[(AMINO)CARBONYL]PHENYLALANINE | A,B | 1UF8 | 0.71 | ![]() |
ING![]() | D-[(AMINO)CARBONYL]PHENYLALANINE | A,B,D,E | 1HDU | 0.71 | ![]() |
FSB![]() | N-(2-FLOURO-BENZYL)-4-SULFAMOYL- BENZAMIDE | A | 1G45 | 0.7 | ![]() |
FSB![]() | N-(2-FLOURO-BENZYL)-4-SULFAMOYL- BENZAMIDE | A | 1G1D | 0.7 | ![]() |
KHA![]() | 1-(4-{[(2-HYDROXYETHYL)AMINO]CARBONYL}BENZYL)- 1-METHYLPIPERIDINIUM | H,L,X,Y | 1UWG | 0.71 | ![]() |
FNH![]() | (2R)-({N-[(3S)-3-({[(3S,6S)-6-CYCLOHEXYL- 5,8-DIOXO-4,7-DIAZABICYCLO[14.3.1]ICOSA- 1(20),16,18-TRIEN-3-YL]CARBONYL}AMINO)- 2-OXOHEXANOYL]GLYCYL}AMINO)(PHENYL)ACETIC ACID | A,C | 2A4Q | 0.71 | ![]() |
MEA![]() | N-METHYLPHENYLALANINE | A | 2PIL | 0.7 | ![]() |
MEA![]() | N-METHYLPHENYLALANINE | A,B,C,D | 1H0I | 0.7 | ![]() |
MEA![]() | N-METHYLPHENYLALANINE | A,B,I | 1DOJ | 0.7 | ![]() |
4BF![]() | 4-BROMO-L-PHENYLALANINE | A | 2AG6 | 0.75 | ![]() |
IFA![]() | A,B | 3FC8 | 0.72 | ![]() | |
4AF![]() | 4-ACETYL-L-PHENYLALANINE | A | 1ZH6 | 0.71 | ![]() |
ICX![]() | methyl N-[(5Z)-6-({[4-(4-iodobenzyl)phenyl]carbonyl}amino)hex- 5-enoyl]glycinate | A,C,D,E,G,P, Q,R,W | 3CWB | 0.7 | ![]() |
KAF![]() | N-{(5S)-4,4-dihydroxy-6-phenyl- 5-[(phenylcarbonyl)amino]hexanoyl}- L-phenylalanine | A | 3BKK | 0.78 | ![]() |
314![]() | N'-[(1S,2R)-2-[(2R,4S)-4-benzylpiperidin- 2-yl]-1-(3,5-difluorobenzyl)-2- hydroxyethyl]-5-methyl-N,N-dipropylbenzene- 1,3-dicarboxamide | A,B | 3CIB | 0.73 | ![]() |
HOP![]() | (1S,2S,5S)2-(4-GLUTARIDYLBENZYL)- 5-PHENYL-1-CYCLOHEXANOL | H,L | 1D6V | 0.76 | ![]() |
HOP![]() | (1S,2S,5S)2-(4-GLUTARIDYLBENZYL)- 5-PHENYL-1-CYCLOHEXANOL | A,B,H,L | 1AXS | 0.76 | ![]() |
NDL![]() | N-BENZOYL-L-NORLEUCYL-L-LYSYL-L- ARGINYL-L-ARGININE | B | 2FP7 | 0.7 | ![]() |
153![]() | (2S)-2-[(2,4-DICHLORO-BENZOYL)- (3-TRIFLUOROMETHYL-BENZYL)-AMINO]- 3-PHENYL-PROPIONIC ACID | A,B | 1NHU | 0.71 | ![]() |
BJI![]() | 1(R)-1-ACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACID | A | 1ERM | 0.74 | ![]() |
S17![]() | methyl 4-bromo-N-[8-(hydroxyamino)- 8-oxooctanoyl]-L-phenylalaninate | A,B,C,D | 2VCG | 0.74 | ![]() |
KR2![]() | (2R)-4-(2-BENZOYL-1,2-DIAZEPAN- 1-YL)-4-OXO-1-(2,4,5-TRIFLUOROPHENYL)BUTAN- 2-AMINE | A,B | 2OLE | 0.76 | ![]() |
SX3![]() | 4-bromo-2-{[(3R,5S)-3,5-dimethylpiperidin- 1-yl]carbonyl}aniline | A,B | 3CJ2 | 0.7 | ![]() |
F2I![]() | N'-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)- 2-HYDROXY-3-[(3-IODOBENZYL)AMINO]PROPYL}- 5-METHYL-N,N-DIPROPYLISOPHTHALAMIDE | A | 2IQG | 0.74 | ![]() |
PBF![]() | PARA-(BENZOYL)-PHENYLALANINE | A | 2FR9 | 0.74 | ![]() |
PBF![]() | PARA-(BENZOYL)-PHENYLALANINE | A,B | 1EEN | 0.74 | ![]() |
PBF![]() | PARA-(BENZOYL)-PHENYLALANINE | A | 2HGZ | 0.74 | ![]() |
PBF![]() | PARA-(BENZOYL)-PHENYLALANINE | A | 2FRB | 0.74 | ![]() |
INV![]() | 4-(AMINOSULFONYL)-N-[(4-FLUOROPHENYL)METHYL]- BENZAMIDE | A | 1I9L | 0.7 | ![]() |
853![]() | 5-[2-ACETYLAMINO-2-(1-BIPHENYL- 4-YLMETHYL-2-OXO-AZEPAN-3-YLCARBAMOYL)- ETHYL]-2-CARBOXYMETHYL-BENZOIC ACID | A | 1O48 | 0.7 | ![]() |
HU2![]() | (2S)-({N-[(3S)-3-({N-[(2S,4E)-2- ISOPROPYL-7-METHYLOCT-4-ENOYL]- L-LEUCYL}AMINO)-2-OXOHEXANOYL]GLYCYL}AMINO)(PHENYL)ACETIC ACID | A,C | 2OC1 | 0.71 | ![]() |
SC7![]() | N'-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)- 2-[(2R,4S)-4-ETHOXYPIPERIDIN-2- YL]-2-HYDROXYETHYL}-5-METHYL-N,N- DIPROPYLISOPHTHALAMIDE | A,B | 2QP8 | 0.72 | ![]() |
SP9![]() | N-{(1R)-3-[(4-aminobutyl)amino]- 1-methylpropyl}benzamide | A,B | 3CNT | 0.72 | ![]() |
NPG![]() | N-SUCCINYL PHENYLGLYCINE | A,B,C,D | 1SJD | 0.74 | ![]() |
NDF![]() | N-(CARBOXYCARBONYL)-D-PHENYLALANINE | A | 1YCI | 0.73 | ![]() |
BFI![]() | 2[4-BROMO-2-FLUOROPHENYL)METHYL]- 6-FLUOROSPIRO[ISOQUINOLINE-4-(1H),3'- PYRROLIDINE]-1,2',3,5'(2H)-TETRONE | A | 1PWL | 0.72 | ![]() |