Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02162427
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 |
S2D![]() | N-BENZOYL-D-ALANINE | A,B | 2JCI | 0.71 | ![]() |
IOC![]() | 4-(AMINOSULFONYL)-N-[(2,3,4-TRIFLUOROPHENYL)METHYL]- BENZAMIDE | A | 1I9O | 0.7 | ![]() |
FSB![]() | N-(2-FLOURO-BENZYL)-4-SULFAMOYL- BENZAMIDE | A | 1G45 | 0.71 | ![]() |
FSB![]() | N-(2-FLOURO-BENZYL)-4-SULFAMOYL- BENZAMIDE | A | 1G1D | 0.71 | ![]() |
IOE![]() | 4-(AMINOSULFONYL)-N-[(2,4,6-TRIFLUOROPHENYL)METHYL]- BENZAMIDE | A | 1I9P | 0.7 | ![]() |
BJI![]() | 1(R)-1-ACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACID | A | 1ERM | 0.8 | ![]() |
852![]() | 2-{4-[2-ACETYLAMINO-2-(1-BIPHENYL- 4-YLMETHYL-2-OXO-AZEPAN-3-YLCARBAMOYL)- ETHYL]-2-CARBOXY-PHENYL}-MALONIC ACID | A | 1O44 | 0.7 | ![]() |
IPC![]() | 3-[ISOPROPYL(4-METHYLBENZOYL)AMINO]- 5-PHENYLTHIOPHENE-2-CARBOXYLIC ACID | A | 1YVX | 0.74 | ![]() |
MPQ![]() | N-METHYL-ALPHA-PHENYL-GLYCINE | D | 1D6E | 0.7 | ![]() |
VG3![]() | N-[(1S,2R)-1-benzyl-3-{[(1S)-2- (cyclohexylamino)-1-methyl-2-oxoethyl]amino}- 2-hydroxypropyl]-3-(pentylsulfonyl)benzamide | A | 2VIY | 0.71 | ![]() |
MCG![]() | (S)-(ALPHA)-METHYL-4-CARBOXYPHENYLGLYCINE | A,B | 1ISS | 0.72 | ![]() |
161![]() | 5-[4-(1-CARBOXYMETHYL-2-OXO-PROPYLCARBAMOYL)- BENZYLSULFAMOYL]-2-HYDROXY-BENZOIC ACID | A,B | 1NMS | 0.7 | ![]() |
UBE![]() | 3-({3-[(2S)-2-amino-2-carboxyethyl]- 5-methyl-2,6-dioxo-3,6-dihydropyrimidin- 1(2H)-yl}methyl)-5-phenylthiophene- 2-carboxylic acid | A,B | 2QS3 | 0.74 | ![]() |
AJH![]() | 4-({4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]- 1,4-diazepan-1-yl}carbonyl)benzoic acid | A,B | 3EIO | 0.73 | ![]() |
INV![]() | 4-(AMINOSULFONYL)-N-[(4-FLUOROPHENYL)METHYL]- BENZAMIDE | A | 1I9L | 0.71 | ![]() |
HOP![]() | (1S,2S,5S)2-(4-GLUTARIDYLBENZYL)- 5-PHENYL-1-CYCLOHEXANOL | H,L | 1D6V | 0.73 | ![]() |
HOP![]() | (1S,2S,5S)2-(4-GLUTARIDYLBENZYL)- 5-PHENYL-1-CYCLOHEXANOL | A,B,H,L | 1AXS | 0.73 | ![]() |
4BA![]() | 4-[(2-CARBOXY-ETHYLAMINO)-METHYL]- BENZOIC ACID | C | 1FAV | 0.77 | ![]() |
3B4![]() | 2-(cyclohexylamino)benzoic acid | A,B | 3B4P | 0.71 | ![]() |
BJH![]() | 1(R)-1-ACETAMIDO-2-(3-CARBOXY-2- HYDROXYPHENYL)ETHYL BORONIC ACID | A | 1ERQ | 0.72 | ![]() |
IOF![]() | 4-(AMINOSULFONYL)-N-[(3,4,5-TRIFLUOROPHENYL)METHYL]- BENZAMIDE | A | 1I9Q | 0.7 | ![]() |
OAP![]() | 4-(S)-[(1-OXO-7-PHENYLHEPTYL)AMINO]- 5-[4-(PHENYLMETHYL)PHENYLTHIO]PENTANOIC ACID | A,B,C,D,E,F | 1KVO | 0.73 | ![]() |
F6B![]() | N-(2,6-DIFLOURO-BENZYL)-4-SULFAMOYL- BENZAMIDE | A | 1G48 | 0.7 | ![]() |
F6B![]() | N-(2,6-DIFLOURO-BENZYL)-4-SULFAMOYL- BENZAMIDE | A | 1G53 | 0.7 | ![]() |
3XH![]() | 3-Hydroxyhippuric acid | A | 3E9K | 0.72 | ![]() |
197![]() | 4-[2-ACETYLAMINO-2-(1-BIPHENYL- 4-YLMETHYL-2-OXO-AZEPAN-3-YLCARBAMOYL)- ETHYL]-2-FORMYL-BENZOIC ACID | A | 1O4A | 0.71 | ![]() |
IFB![]() | N-[(2',4'-DIFLUORO-4-HYDROXY-5- IODOBIPHENYL-3-YL)CARBONYL]-BETA- ALANINE | A,B | 3FCB | 0.72 | ![]() |
IOA![]() | 4-(AMINOSULFONYL)-N-[(2,5-DIFLUOROPHENYL)METHYL]- BENZAMIDE | A | 1I9N | 0.7 | ![]() |
MN7![]() | 1-CARBOXY-4-ISOBUTYLAMINOMETHYLBENZENE | N | 1NLO | 0.78 | ![]() |
853![]() | 5-[2-ACETYLAMINO-2-(1-BIPHENYL- 4-YLMETHYL-2-OXO-AZEPAN-3-YLCARBAMOYL)- ETHYL]-2-CARBOXYMETHYL-BENZOIC ACID | A | 1O48 | 0.73 | ![]() |
A41![]() | 5-METHYL-2-[(PHENYLSULFONYL)AMINO]BENZOIC ACID | A | 1YW7 | 0.72 | ![]() |
IFA![]() | A,B | 3FC8 | 0.72 | ![]() | |
SM2![]() | (1R)-1-(2-THIENYLACETYLAMINO)-1- (3-CARBOXYPHENYL)METHYLBORONIC ACID | A,B | 1PI5 | 0.84 | ![]() |
SM2![]() | (1R)-1-(2-THIENYLACETYLAMINO)-1- (3-CARBOXYPHENYL)METHYLBORONIC ACID | A | 1NXY | 0.84 | ![]() |
SM2![]() | (1R)-1-(2-THIENYLACETYLAMINO)-1- (3-CARBOXYPHENYL)METHYLBORONIC ACID | A,B | 1MXO | 0.84 | ![]() |
SM2![]() | (1R)-1-(2-THIENYLACETYLAMINO)-1- (3-CARBOXYPHENYL)METHYLBORONIC ACID | A,B | 1YM1 | 0.84 | ![]() |
072![]() | (+/-)(2S,5S)-3-(4-(4-CARBOXYPHENYL)BUTYL)- 2-HEPTYL-4-OXO-5-THIAZOLIDINE | A,B,C,D | 4PRG | 0.77 | ![]() |
KAF![]() | N-{(5S)-4,4-dihydroxy-6-phenyl- 5-[(phenylcarbonyl)amino]hexanoyl}- L-phenylalanine | A | 3BKK | 0.7 | ![]() |
TIN![]() | A,B | 1N94 | 0.73 | ![]() | |
3FL![]() | 3-{[(4-{[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin- 4-yl)methyl]amino}butyl)amino]methyl}benzoic acid | A,B | 3FCL | 0.72 | ![]() |
401![]() | (2S)-2-{3-[({[2-fluoro-4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]- 4-methoxybenzyl}butanoic acid | A,B | 2ZNQ | 0.7 | ![]() |
EMT![]() | 2-(ETHYLMERCURI-THIO)-BENZOIC ACID | A,B | 1KDG | 0.74 | ![]() |
EMT![]() | 2-(ETHYLMERCURI-THIO)-BENZOIC ACID | A,B,C,D | 1O9L | 0.74 | ![]() |
SM4![]() | (1R)-1-(2-THIOPHEN-2-YL-ACETYLAMINO)- 1-(3-(2-CARBOXYVINYL)-PHENYL) METHYLBORONIC ACID | A,B | 2RCX | 0.77 | ![]() |
BSB![]() | N-BENZYL-4-SULFAMOYL-BENZAMIDE | A | 1G4O | 0.72 | ![]() |
201![]() | 3-AMIDO-5-BIPHENYL-BENZOIC ACID | A | 2B0M | 0.76 | ![]() |
ITB![]() | 2-(CARBOXYMETHYL)-1-OXO-1,2-DIHYDRONAPHTHO[1,2- D]ISOTHIAZOLE-4-CARBOXYLIC ACID 3,3- DIOXIDE | A | 2NVD | 0.71 | ![]() |
NN3![]() | 3-{ISOPROPYL[(TRANS-4-METHYLCYCLOHEXYL)CARBONYL]AMINO}- 5-PHENYLTHIOPHENE-2-CARBOXYLIC ACID | A,B | 2GIR | 0.73 | ![]() |
INW![]() | 4-(AMINOSULFONYL)-N-[(2,4-DIFLUOROPHENYL)METHYL]- BENZAMIDE | A | 1I9M | 0.7 | ![]() |
BJP![]() | (1R)-2-PHENYLACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACID | A | 1ERO | 0.81 | ![]() |
F2B![]() | N-(2,3-DIFLUORO-BENZYL)-4-SULFAMOYL- BENZAMIDE | A | 1G46 | 0.7 | ![]() |
F2B![]() | N-(2,3-DIFLUORO-BENZYL)-4-SULFAMOYL- BENZAMIDE | A | 1G52 | 0.7 | ![]() |
3CB![]() | N-[(3-CARBOXYBENZYL)SULFONYL]ISOLEUCYL- N~1~-{4-[AMINO(IMINO)METHYL]BENZYL}- 5-IMINOORNITHINAMIDE | H,L | 1WSS | 0.72 | ![]() |