Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01430248
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 |
PR2![]() | THIENO[3,2-B]PYRIDINE-2-SULFONIC ACID [2- OXO-1-(1H-PYRROLO[2,3-C]PYRIDIN- 2-YLMETHYL)-PYRROLIDIN-3-YL]-AMIDE | A | 1F0S | 0.71 | ![]() |
C48![]() | N1-(1-DIMETHYLCARBAMOYL-2-PHENYL- ETHYL)-2-OXO-N4-(2-PYRIDIN-2-YL- ETHYL)-SUCCINAMIDE | A | 1CVZ | 0.76 | ![]() |
793![]() | 3-{[(1R)-1-phenylethyl]amino}-4- (pyridin-4-ylamino)cyclobut-3-ene- 1,2-dione | A | 3FPM | 0.75 | ![]() |
SBS![]() | (S)-N-(3-INDOL-1-YL-2-METHYL-PROPYL)- 4-SULFAMOYL-BENZAMIDE | A | 1IF8 | 0.74 | ![]() |
IQS![]() | N-[2-(METHYLAMINO)ETHYL]-5-ISOQUINOLINESULFONAMIDE | E | 1YDS | 0.75 | ![]() |
UN8![]() | N-(4-{[3-BUTYL-1-(2-FLUOROBENZYL)- 2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H- PURIN-8-YL]METHYL}PHENYL)-1-METHYL- 1H-IMIDAZOLE-4-SULFONAMIDE | A,B | 2GMV | 0.72 | ![]() |
PIU![]() | 1-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}- 2,4,6-TRIMETHYLPYRIDINIUM | A | 1ZE8 | 0.73 | ![]() |
T15![]() | 2-{3-[(benzylsulfonyl)amino]-6- methyl-2-oxopyridin-1(2H)-yl}-N- ({1-[2-(tert-butylamino)-2-oxoethyl]- 4-methyl-1H-imidazol-5-yl}methyl)acetamide | A,B | 3C1K | 0.72 | ![]() |
IQP![]() | 1-(5-ISOQUINOLINESULFONYL)-2-METHYLPIPERAZINE | E | 1YDR | 0.75 | ![]() |
ZZY![]() | 1-[(2-NITROPHENYL)SULFONYL]-1H- PYRROLO[3,2-B]PYRIDINE-6-CARBOXAMIDE | A | 2WD1 | 0.73 | ![]() |
XMB![]() | 4-[(2R)-3-[[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]AMINO]- 1-OXO-2-[[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]AMINO]PROPYL]- THIOMORPHOLINE-1,1-DIOXIDE | A | 1IQE | 0.71 | ![]() |
CMW![]() | 3-{[(4-methylphenyl)sulfonyl]amino}propyl pyridin- 4-ylcarbamate | A | 2W0B | 0.75 | ![]() |
N12![]() | N-[(1R)-2-[(1-{[({6-[AMINO(IMINO)METHYL]PYRIDIN- 3-YL}METHYL)AMINO]CARBONYL}CYCLOPENTYL)AMINO]- 1-(CYCLOHEXYLMETHYL)-2-OXOETHYL]GLYCINE | H,P | 2ANK | 0.7 | ![]() |
IQU![]() | N-(2-AMINOETHYL)ISOQUINOLINE-5- SULFONAMIDE | A,B,C,D | 2CKE | 0.73 | ![]() |
I10![]() | 1-[2-(3-BIPHENYL)-4-METHYLVALERYL)]AMINO- 3-(2-PYRIDYLSULFONYL)AMINO-2-PROPANONE | A | 1BGO | 0.71 | ![]() |
QMS![]() | N-(QUINOLIN-8-YL)METHANESULFONAMIDE | A | 2BB7 | 0.73 | ![]() |
M77![]() | 5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE | A,B | 2ESM | 0.73 | ![]() |
M77![]() | 5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE | A,B | 2F2U | 0.73 | ![]() |
M77![]() | 5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE | A | 2GNI | 0.73 | ![]() |
M77![]() | 5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE | A | 1Q8W | 0.73 | ![]() |
CM6![]() | (2S)-2-[(2,1,3-BENZOTHIADIAZOL- 4-YLSULFONYL)AMINO]-2-PHENYL-N- PYRIDIN-4-YLACETAMIDE | A | 2CIB | 0.77 | ![]() |
34Q![]() | (3R,4R)-4-(pyrrolidin-1-ylcarbonyl)- 1-(quinoxalin-2-ylcarbonyl)pyrrolidin- 3-amine | A | 2RIP | 0.75 | ![]() |
QYT![]() | (5E)-5-(QUINOXALIN-6-YLMETHYLENE)- 1,3-THIAZOLIDINE-2,4-DIONE | A | 2A5U | 0.72 | ![]() |
SBB![]() | N-[2-(1H-INDOL-5-YL)-BUTYL]-4-SULFAMOYL- BENZAMIDE | A | 1IF9 | 0.72 | ![]() |
NA9![]() | N-(CARBOXYMETHYL)-3-CYCLOHEXYL- D-ALANYL-N-({6-[AMINO(IMINO)METHYL]PYRIDIN- 3-YL}METHYL)-N~2~-METHYL-L-ALANINAMIDE | H,P | 2A2X | 0.72 | ![]() |
1CM![]() | (2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDE | A | 2CI0 | 0.7 | ![]() |
H7J![]() | N-[(1S)-1-{1-[(1R,3E)-1-ACETYLPENT- 3-EN-1-YL]-1H-1,2,3-TRIAZOL-4-YL}- 1,2-DIMETHYLPROPYL]BENZAMIDE | A,B,C | 2HXZ | 0.71 | ![]() |
H7J![]() | N-[(1S)-1-{1-[(1R,3E)-1-ACETYLPENT- 3-EN-1-YL]-1H-1,2,3-TRIAZOL-4-YL}- 1,2-DIMETHYLPROPYL]BENZAMIDE | A,B | 2H7J | 0.71 | ![]() |
IHZ![]() | 5-[(2-methyl-5-{[3-(trifluoromethyl)phenyl]carbamoyl}phenyl)amino]pyridine- 3-carboxamide | A | 3DKO | 0.72 | ![]() |
BO2![]() | N-[(1R)-1-(DIHYDROXYBORYL)-3-METHYLBUTYL]- N-(PYRAZIN-2-YLCARBONYL)-L-PHENYLALANINAMIDE | 2,H,K,N,V,Y | 2F16 | 0.86 | ![]() |
SBR![]() | (R)-N-(3-INDOL-1-YL-2-METHYL-PROPYL)- 4-SULFAMOYL-BENZAMIDE | A | 1IF7 | 0.74 | ![]() |
H52![]() | (S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]- HOMOPIPERAZINE | A | 1Q8U | 0.73 | ![]() |
H52![]() | (S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]- HOMOPIPERAZINE | A,B | 3D9V | 0.73 | ![]() |
H52![]() | (S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]- HOMOPIPERAZINE | A | 2GNH | 0.73 | ![]() |
H52![]() | (S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]- HOMOPIPERAZINE | A | 2GNL | 0.73 | ![]() |
PPX![]() | [PHENYLALANINYL-PROLINYL]-[2-(PYRIDIN- 4-YLAMINO)-ETHYL]-AMINE | E,H | 1QBV | 0.74 | ![]() |
I11![]() | [[CYCLOHEXANESULFONYL-GLYCYL]-3[PYRIDIN- 4-YL-AMINOMETHYL]ALANYL]PIPERIDINE | H | 1UVS | 0.72 | ![]() |
CM9![]() | CIS-4-METHYL-N-[(1S)-3-(METHYLSULFANYL)- 1-(PYRIDIN-4-YLCARBAMOYL)PROPYL]CYCLOHEXANECARBOXAMIDE | A | 2W09 | 0.73 | ![]() |
CII![]() | N-[(1S)-2-methyl-1-(pyridin-4-ylcarbamoyl)propyl]cyclohexanecarboxamide | A | 2W0A | 0.73 | ![]() |
Y27![]() | (R)-TRANS-4-(1-AMINOETHYL)-N-(4- PYRIDYL) CYCLOHEXANECARBOXAMIDE | A | 2GNF | 0.7 | ![]() |
Y27![]() | (R)-TRANS-4-(1-AMINOETHYL)-N-(4- PYRIDYL) CYCLOHEXANECARBOXAMIDE | A | 2H9V | 0.7 | ![]() |
Y27![]() | (R)-TRANS-4-(1-AMINOETHYL)-N-(4- PYRIDYL) CYCLOHEXANECARBOXAMIDE | A,B | 2ETR | 0.7 | ![]() |
Y27![]() | (R)-TRANS-4-(1-AMINOETHYL)-N-(4- PYRIDYL) CYCLOHEXANECARBOXAMIDE | A | 2GNJ | 0.7 | ![]() |
Y27![]() | (R)-TRANS-4-(1-AMINOETHYL)-N-(4- PYRIDYL) CYCLOHEXANECARBOXAMIDE | A | 1Q8T | 0.7 | ![]() |
LIQ![]() | N-{(1S)-2-({(1S,2R)-1-(3,5-DIFLUOROBENZYL)- 3-[(3-ETHYLBENZYL)AMINO]-2-HYDROXYPROPYL}AMINO)- 2-OXO-1-[(PENTYLSULFONYL)METHYL]ETHYL}NICOTINAMIDE | A | 2HM1 | 0.7 | ![]() |