Reaction Details Report a problem with these data
Target
Angiotensin-converting enzyme
Ligand
BDBM21642
Substrate
n/a
Meas. Tech.
ChEMBL_391664 (CHEMBL871553)
EC50
1422656±n/a nM
Citation
 Tzakos, AG; Naqvi, N; Comporozos, K; Pierattelli, R; Theodorou, V; Husain, A; Gerothanassis, IP The molecular basis for the selection of captopril cis and trans conformations by angiotensin I converting enzyme. Bioorg Med Chem Lett 16:5084-7 (2006) [PubMed]  Article 
Target
Name:
Angiotensin-converting enzyme
Synonyms:
CD_antigen=CD143 | Dipeptidyl carboxypeptidase I | Angiotensin converting enzyme (ACE) | Angiotensin-converting enzyme, somatic isoform | Angiotensin-converting enzyme, ACE | Kininase II | Angiotensin-converting enzyme, soluble form | ACE_HUMAN | ACE | DCP | DCP1
Type:
Enzyme
Mol. Mass.:
149709.01
Organism:
Human
Description:
n/a
Residue:
1306
Sequence:
MGAASGRRGPGLLLPLPLLLLLPPQPALALDPGLQPGNFSADEAGAQLFAQSYNSSAEQVLFQSVAASWAHDTNITAENARRQEEAALLSQEFAEAWGQKAKELYEPIWQNFTDPQLRRIIGAVRTLGSANLPLAKRQQYNALLSNMSRIYSTAKVCLPNKTATCWSLDPDLTNILASSRSYAMLLFAWEGWHNAAGIPLKPLYEDFTALSNEAYKQDGFTDTGAYWRSWYNSPTFEDDLEHLYQQLEPLYLNLHAFVRRALHRRYGDRYINLRGPIPAHLLGDMWAQSWENIYDMVVPFPDKPNLDVTSTMLQQGWNATHMFRVAEEFFTSLELSPMPPEFWEGSMLEKPADGREVVCHASAWDFYNRKDFRIKQCTRVTMDQLSTVHHEMGHIQYYLQYKDLPVSLRRGANPGFHEAIGDVLALSVSTPEHLHKIGLLDRVTNDTESDINYLLKMALEKIAFLPFGYLVDQWRWGVFSGRTPPSRYNFDWWYLRTKYQGICPPVTRNETHFDAGAKFHVPNVTPYIRYFVSFVLQFQFHEALCKEAGYEGPLHQCDIYRSTKAGAKLRKVLQAGSSRPWQEVLKDMVGLDALDAQPLLKYFQPVTQWLQEQNQQNGEVLGWPEYQWHPPLPDNYPEGIDLVTDEAEASKFVEEYDRTSQVVWNEYAEANWNYNTNITTETSKILLQKNMQIANHTLKYGTQARKFDVNQLQNTTIKRIIKKVQDLERAALPAQELEEYNKILLDMETTYSVATVCHPNGSCLQLEPDLTNVMATSRKYEDLLWAWEGWRDKAGRAILQFYPKYVELINQAARLNGYVDAGDSWRSMYETPSLEQDLERLFQELQPLYLNLHAYVRRALHRHYGAQHINLEGPIPAHLLGNMWAQTWSNIYDLVVPFPSAPSMDTTEAMLKQGWTPRRMFKEADDFFTSLGLLPVPPEFWNKSMLEKPTDGREVVCHASAWDFYNGKDFRIKQCTTVNLEDLVVAHHEMGHIQYFMQYKDLPVALREGANPGFHEAIGDVLALSVSTPKHLHSLNLLSSEGGSDEHDINFLMKMALDKIAFIPFSYLVDQWRWRVFDGSITKENYNQEWWSLRLKYQGLCPPVPRTQGDFDPGAKFHIPSSVPYIRYFVSFIIQFQFHEALCQAAGHTGPLHKCDIYQSKEAGQRLATAMKLGFSRPWPEAMQLITGQPNMSASAMLSYFKPLLDWLRTENELHGEKLGWPQYNWTPNSARSEGPLPDSGRVSFLGLDLDAQQARVGQWLLLFLGIALLVATLGLSQRLFSIRHRSLHRHSHGPQFGSEVELRHS
  
Inhibitor
Name:
BDBM21642
Synonyms:
(2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolidine-2-carboxylic acid | CHEMBL1560 | SQ14534 | SQ 14,225 | Lopirin | Captopril | Capozide | US11491146, Compound L-Captopril
Type:
Small organic molecule
Emp. Form.:
C9H15NO3S
Mol. Mass.:
217.08
SMILES:
C[C@H](CS)C(=O)N1CCC[C@H]1C(O)=O
Structure:
Search PDB for entries with ligand similarity: