Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00332434
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 |
32U![]() | D-phenylalanyl-N-{4-[amino(iminio)methyl]benzyl}- L-prolinamide | H,I | 2ZDA | 0.72 | ![]() |
53U![]() | D-phenylalanyl-N-benzyl-L-prolinamide | H,I | 2ZFF | 0.7 | ![]() |
3G3![]() | 2-[2-(1H-tetrazol-5-yl)ethyl]-1H- isoindole-1,3(2H)-dione | A,B | 3G32 | 0.74 | ![]() |
SP8![]() | N-{(1S)-3-[(4-aminobutyl)amino]- 1-methylpropyl}benzamide | A,B | 3CNS | 0.7 | ![]() |
KIQ![]() | (1S,6R)-3-{[3-(TRIFLUOROMETHYL)- 5,6-DIHYDRO[1,2,4]TRIAZOLO[4,3- A]PYRAZIN-7(8H)-YL]CARBONYL}-6- (2,4,5-TRIFLUOROPHENYL)CYCLOHEX- 3-EN-1-AMINE | B | 2I78 | 0.78 | ![]() |
BFB![]() | N-[(1S)-1-(AMINOCARBONYL)-4-(ETHANIMIDOYLAMINO)BUTYL]BENZAMIDE | A | 2DW5 | 0.74 | ![]() |
C4A![]() | ETHYL {(1S)-5-AMINO-1-[(5-{4-[(2,3- DIHYDRO-1H-INDEN-2-YLAMINO)CARBONYL]BENZYL}- 1,2,4-OXADIAZOL-3-YL)CARBONYL]PENTYL}CARBAMATE | A,B,C,D | 2FS9 | 0.71 | ![]() |
S14![]() | 6-(4-{(1S,2S)-2-AMINO-1-[(DIMETHYLAMINO)CARBONYL]- 3-[(3S)-3-FLUOROPYRROLIDIN-1-YL]- 3-OXOPROPYL}PHENYL)-1H-[1,2,4]TRIAZOLO[1,5- A]PYRIDIN-4-IUM | A,B | 2FJP | 0.75 | ![]() |
715![]() | (2R)-4-OXO-4-[3-(TRIFLUOROMETHYL)- 5,6-DIHYDRO[1,2,4]TRIAZOLO[4,3- A]PYRAZIN-7(8H)-YL]-1-(2,4,5-TRIFLUOROPHENYL)BUTAN- 2-AMINE | A,B | 1X70 | 0.76 | ![]() |
FPB![]() | N-({(2S)-1-[(3R)-3-AMINO-4-(2-FLUOROPHENYL)BUTANOYL]PYRROLIDIN- 2-YL}METHYL)BENZAMIDE | A,B | 2BUB | 0.74 | ![]() |
BPO![]() | 3-[(Z)-AMINO(IMINO)METHYL]-N-[2- (4-BENZOYL-1-PIPERIDINYL)-2-OXO- 1-PHENYLETHYL]BENZAMIDE | A | 1EB2 | 0.71 | ![]() |
50U![]() | (S)-N-(4-carbamimidoylbenzyl)-1- (3-cyclohexylpropanoyl)pyrrolidine- 2-carboxamide | A | 2ZDK | 0.7 | ![]() |
50U![]() | (S)-N-(4-carbamimidoylbenzyl)-1- (3-cyclohexylpropanoyl)pyrrolidine- 2-carboxamide | H,I | 2ZG0 | 0.7 | ![]() |
33U![]() | beta-phenyl-D-phenylalanyl-N-(4- carbamimidoylbenzyl)-L-prolinamide | H,I | 2ZO3 | 0.71 | ![]() |
IH4![]() | N-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2- PHENYLETHYL) | A | 2BJU | 0.71 | ![]() |
NKK![]() | N~2~-(naphthalen-2-ylcarbonyl)- L-lysyl-N-[(1S)-4-carbamimidamido- 1-formylbutyl]-L-lysinamide | B,D | 3E90 | 0.71 | ![]() |
SP9![]() | N-{(1R)-3-[(4-aminobutyl)amino]- 1-methylpropyl}benzamide | A,B | 3CNT | 0.7 | ![]() |
448![]() | (2R)-4-[(8R)-8-METHYL-2-(TRIFLUOROMETHYL)- 5,6-DIHYDRO[1,2,4]TRIAZOLO[1,5- A]PYRAZIN-7(8H)-YL]-4-OXO-1-(2,4,5- TRIFLUOROPHENYL)BUTAN-2-AMINE | A,B,S | 2QOE | 0.77 | ![]() |
L86![]() | (11S)-11-BENZYL-6-CHLORO-1,2,10,11,12,13,14,15,16,17,18,19- DODECAHYDRO-5,9-METHANO-2,5,8,10,13,17- BENZOHEXAAZACYCLOHENICOSINE-3,24- DIONE | A,B | 1NM6 | 0.7 | ![]() |
27U![]() | N-(4-carbamimidoylbenzyl)-1-(3- phenylpropanoyl)-L-prolinamide | H,I | 2ZHQ | 0.72 | ![]() |
SY1![]() | 2-({2-[(3R)-3-AMINOPIPERIDIN-1- YL]-4-OXOQUINAZOLIN-3(4H)-YL}METHYL)BENZONITRILE | A,B,C,D | 2ONC | 0.72 | ![]() |