Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00467300
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 |
DOE![]() | (S)-2-(4-(2-(2-HYDROXYETHYLTHIO)- ACETAMIDO)-BENZYL)-1,4,7,10-TETRAAZACYCLODODECANE- N,N',N'',N'''-TETRAACETATE | A,B,C,D | 1NC2 | 0.75 | ![]() |
347![]() | TERT-BUTYL 4-({[4-(BUT-2-YN-1-YLAMINO)PHENYL]SULFONYL}METHYL)- 4-[(HYDROXYAMINO)CARBONYL]PIPERIDINE- 1-CARBOXYLATE | A,B,C,D | 2PJT | 0.75 | ![]() |
BL5![]() | A,B | 1RL4 | 0.76 | ![]() | |
BAN![]() | HONH-BENZYLMALONYL-L-ALANYLGLYCINE- P-NITROANILIDE | A | 5TLN | 0.72 | ![]() |
F1J![]() | (2S)-4-(4-fluorobenzyl)-N-(2-sulfanylethyl)piperazine- 2-carboxamide | A | 2ZJJ | 0.77 | ![]() |
4CP![]() | 2-[2-(4-CHLORO-PHENYLSULFANYL)- ACETYLAMINO]-3-(4-GUANIDINO-PHENYL)- PROPIONAMIDE | H,I | 2BVR | 0.72 | ![]() |
F1K![]() | (2S)-4-(4-fluorobenzyl)-N-(3-sulfanylpropyl)piperazine- 2-carboxamide | A,B,C | 2ZJK | 0.77 | ![]() |
641![]() | (3S)-1-CYCLOHEXYL-N-(3,5-DICHLOROPHENYL)- 5-OXOPYRROLIDINE-3-CARBOXAMIDE | A | 2H7M | 0.71 | ![]() |
CRJ![]() | N-(1-CYANOCYCLOPROPYL)-3-({[(2S)- 5-OXOPYRROLIDIN-2-YL]METHYL}SULFONYL)- N~2~-[(1S)-2,2,2-TRIFLUORO-1-(4- FLUOROPHENYL)ETHYL]-L-ALANINAMIDE | A,B | 2FQ9 | 0.7 | ![]() |
1C2![]() | 3(S)-METHYLCARBAMOYL-7-SULFOAMINO- 3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID TERT- BUTYL ESTER | A | 2F6T | 0.7 | ![]() |
665![]() | (3S)-N-(3-BROMOPHENYL)-1-CYCLOHEXYL- 5-OXOPYRROLIDINE-3-CARBOXAMIDE | A | 2H7L | 0.72 | ![]() |
468![]() | (3S)-N-(3-CHLORO-2-METHYLPHENYL)- 1-CYCLOHEXYL-5-OXOPYRROLIDINE-3- CARBOXAMIDE | A | 2H7P | 0.71 | ![]() |
221![]() | (2R,3R)-3-{[3,5-BIS(TRIFLUOROMETHYL)PHENYL]AMINO}- 2-CYANO-3-THIOXOPROPANAMIDE | A,B | 2IJN | 0.71 | ![]() |
F1H![]() | N-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamide | A | 2ZJH | 0.74 | ![]() |
ENT![]() | 3(R)-METHYLCARBAMOYL-7-SULFOAMINO- 3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID TERT- BUTYL ESTER | A | 2F6Y | 0.7 | ![]() |
744![]() | (3S)-N-(5-CHLORO-2-METHYLPHENYL)- 1-CYCLOHEXYL-5-OXOPYRROLIDINE-3- CARBOXAMIDE | A | 2H7N | 0.71 | ![]() |
566![]() | (3S)-1-CYCLOHEXYL-5-OXO-N-PHENYLPYRROLIDINE- 3-CARBOXAMIDE | A | 2H7I | 0.78 | ![]() |
37U![]() | D-phenylalanyl-N-(3-fluorobenzyl)- L-prolinamide | H,I | 2ZDV | 0.7 | ![]() |
CM9![]() | CIS-4-METHYL-N-[(1S)-3-(METHYLSULFANYL)- 1-(PYRIDIN-4-YLCARBAMOYL)PROPYL]CYCLOHEXANECARBOXAMIDE | A | 2W09 | 0.75 | ![]() |
BNI![]() | 5-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL- 6-YL)-PENTANOIC ACID (4-NITRO-PHENYL)- AMIDE | A,B | 1RXH | 0.71 | ![]() |
BNI![]() | 5-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL- 6-YL)-PENTANOIC ACID (4-NITRO-PHENYL)- AMIDE | A,B | 1I9H | 0.71 | ![]() |
BNI![]() | 5-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL- 6-YL)-PENTANOIC ACID (4-NITRO-PHENYL)- AMIDE | A,B | 2FHL | 0.71 | ![]() |
BNI![]() | 5-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL- 6-YL)-PENTANOIC ACID (4-NITRO-PHENYL)- AMIDE | A,B | 1RXK | 0.71 | ![]() |
BNI![]() | 5-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL- 6-YL)-PENTANOIC ACID (4-NITRO-PHENYL)- AMIDE | A,B | 2OFB | 0.71 | ![]() |
BNI![]() | 5-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL- 6-YL)-PENTANOIC ACID (4-NITRO-PHENYL)- AMIDE | A,B | 1IJ8 | 0.71 | ![]() |
BNI![]() | 5-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL- 6-YL)-PENTANOIC ACID (4-NITRO-PHENYL)- AMIDE | A,B | 2OF8 | 0.71 | ![]() |
BNI![]() | 5-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL- 6-YL)-PENTANOIC ACID (4-NITRO-PHENYL)- AMIDE | A,B,C,D | 1RXJ | 0.71 | ![]() |
BNI![]() | 5-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL- 6-YL)-PENTANOIC ACID (4-NITRO-PHENYL)- AMIDE | X,Y | 2FHN | 0.71 | ![]() |