| Reaction Details |
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 | Report a problem with these data |
| Target | Angiotensin-converting enzyme |
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| Ligand | BDBM50406908 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEBML_36150 |
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| IC50 | 0.251189±n/a nM |
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| Citation |  Waller, CL; Marshall, GR Three-dimensional quantitative structure-activity relationship of angiotesin-converting enzyme and thermolysin inhibitors. II. A comparison of CoMFA models incorporating molecular orbital fields and desolvation free energies based on active-analog and complementary-receptor-field alignment rules. J Med Chem36:2390-403 (1993) [PubMed] |
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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 |
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| 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 |
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| Type: | Enzyme |
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| Mol. Mass.: | 149709.01 |
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| Organism: | Homo sapiens (Human) |
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| Description: | n/a |
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| Residue: | 1306 |
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| 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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| BDBM50406908 |
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| n/a |
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| Name | BDBM50406908 |
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| Synonyms: | CHEMBL78629 |
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| Type | Small organic molecule |
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| Emp. Form. | C31H31N3O8 |
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| Mol. Mass. | 573.5931 |
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| SMILES | OC(=O)[C@@H](CCC(=O)N1[C@@H](Cc2ccccc12)C(O)=O)NC(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1 |
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| Structure | 
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