Reaction Details |
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Target | Angiotensin-converting enzyme |
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Ligand | BDBM50021296 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_35981 (CHEMBL646945) |
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IC50 | 63.1±n/a nM |
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Citation | Crippen, GM Validation of EGSITE2, a mixed integer program for deducing objective site models for experimental binding data. J Med Chem40:3161-72 (1997) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Angiotensin-converting enzyme |
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Name: | Angiotensin-converting enzyme |
Synonyms: | ACE | ACE_HUMAN | Angiotensin converting enzyme (ACE) | Angiotensin-converting enzyme, ACE | Angiotensin-converting enzyme, soluble form | Angiotensin-converting enzyme, somatic isoform | CD_antigen=CD143 | DCP | DCP1 | Dipeptidyl carboxypeptidase I | Kininase II |
Type: | Enzyme |
Mol. Mass.: | 149709.01 |
Organism: | Homo sapiens (Human) |
Description: | n/a |
Residue: | 1306 |
Sequence: | MGAASGRRGPGLLLPLPLLLLLPPQPALALDPGLQPGNFSADEAGAQLFAQSYNSSAEQV
LFQSVAASWAHDTNITAENARRQEEAALLSQEFAEAWGQKAKELYEPIWQNFTDPQLRRI
IGAVRTLGSANLPLAKRQQYNALLSNMSRIYSTAKVCLPNKTATCWSLDPDLTNILASSR
SYAMLLFAWEGWHNAAGIPLKPLYEDFTALSNEAYKQDGFTDTGAYWRSWYNSPTFEDDL
EHLYQQLEPLYLNLHAFVRRALHRRYGDRYINLRGPIPAHLLGDMWAQSWENIYDMVVPF
PDKPNLDVTSTMLQQGWNATHMFRVAEEFFTSLELSPMPPEFWEGSMLEKPADGREVVCH
ASAWDFYNRKDFRIKQCTRVTMDQLSTVHHEMGHIQYYLQYKDLPVSLRRGANPGFHEAI
GDVLALSVSTPEHLHKIGLLDRVTNDTESDINYLLKMALEKIAFLPFGYLVDQWRWGVFS
GRTPPSRYNFDWWYLRTKYQGICPPVTRNETHFDAGAKFHVPNVTPYIRYFVSFVLQFQF
HEALCKEAGYEGPLHQCDIYRSTKAGAKLRKVLQAGSSRPWQEVLKDMVGLDALDAQPLL
KYFQPVTQWLQEQNQQNGEVLGWPEYQWHPPLPDNYPEGIDLVTDEAEASKFVEEYDRTS
QVVWNEYAEANWNYNTNITTETSKILLQKNMQIANHTLKYGTQARKFDVNQLQNTTIKRI
IKKVQDLERAALPAQELEEYNKILLDMETTYSVATVCHPNGSCLQLEPDLTNVMATSRKY
EDLLWAWEGWRDKAGRAILQFYPKYVELINQAARLNGYVDAGDSWRSMYETPSLEQDLER
LFQELQPLYLNLHAYVRRALHRHYGAQHINLEGPIPAHLLGNMWAQTWSNIYDLVVPFPS
APSMDTTEAMLKQGWTPRRMFKEADDFFTSLGLLPVPPEFWNKSMLEKPTDGREVVCHAS
AWDFYNGKDFRIKQCTTVNLEDLVVAHHEMGHIQYFMQYKDLPVALREGANPGFHEAIGD
VLALSVSTPKHLHSLNLLSSEGGSDEHDINFLMKMALDKIAFIPFSYLVDQWRWRVFDGS
ITKENYNQEWWSLRLKYQGLCPPVPRTQGDFDPGAKFHIPSSVPYIRYFVSFIIQFQFHE
ALCQAAGHTGPLHKCDIYQSKEAGQRLATAMKLGFSRPWPEAMQLITGQPNMSASAMLSY
FKPLLDWLRTENELHGEKLGWPQYNWTPNSARSEGPLPDSGRVSFLGLDLDAQQARVGQW
LLLFLGIALLVATLGLSQRLFSIRHRSLHRHSHGPQFGSEVELRHS
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BDBM50021296 |
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n/a |
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Name | BDBM50021296 |
Synonyms: | 1-(2-Benzoylsulfanyl-cyclopentanecarbonyl)-pyrrolidine-2-carboxylic acid | CHEMBL136015 |
Type | Small organic molecule |
Emp. Form. | C18H21NO4S |
Mol. Mass. | 347.429 |
SMILES | OC(=O)[C@@H]1CCCN1C(=O)[C@H]1CCC[C@H]1SC(=O)c1ccccc1 |
Structure |
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