Reaction Details Report a problem with these data
Target
Carbonic anhydrase 1
Ligand
BDBM50503780
Substrate
n/a
Meas. Tech.
ChEMBL_1812145 (CHEMBL4311605)
Kd
0.640000±n/a nM
Citation
 Va?kevi?ien?, I; Paketuryt?, V; Pajanok, N; ?ukauskas, ?; Sapijanskait?, B; Kantminien?, K; Mickevi?ius, V; Zubrien?, A; Matulis, D Pyrrolidinone-bearing methylated and halogenated benzenesulfonamides as inhibitors of carbonic anhydrases. Bioorg Med Chem 27:322-337 (2019) [PubMed]  Article 
Target
Name:
Carbonic anhydrase 1
Synonyms:
CA-I | CA1 | CAB | CAH1_HUMAN | Carbonate dehydratase I | Carbonic anhydrase | Carbonic anhydrase 1 (CA I) | Carbonic anhydrase 1 (CA-I) | Carbonic anhydrase 1 (Recombinant CA I) | Carbonic anhydrase 2 (CA II) | Carbonic anhydrase B | Carbonic anhydrase I | Carbonic anhydrase I (CA I) | Carbonic anhydrase I (CA-I) | Carbonic anhydrase I (CAI) | Carbonic anhydrase I (hCA I) | Carbonic anhydrase isoenzyme I (hCA I) | hCA
Type:
Enzyme
Mol. Mass.:
28873.37
Organism:
Homo sapiens (Human)
Description:
P00915
Residue:
261
Sequence:
MASPDWGYDDKNGPEQWSKLYPIANGNNQSPVDIKTSETKHDTSLKPISVSYNPATAKEIINVGHSFHVNFEDNDNRSVLKGGPFSDSYRLFQFHFHWGSTNEHGSEHTVDGVKYSAELHVAHWNSAKYSSLAEAASKADGLAVIGVLMKVGEANPKLQKVLDALQAIKTKGKRAPFTNFDPSTLLPSSLDFWTYPGSLTHPPLYESVTWIICKESISVSSEQLAQFRSLLSNVEGDNAVPMQHNNRPTQPLKGRTVRASF
  
Inhibitor
Name:
BDBM50503780
Synonyms:
CHEMBL4475315
Type:
Small organic molecule
Emp. Form.:
C20H20BrClN4O4S
Mol. Mass.:
527.819
SMILES:
Cc1cc(N2CC(CC2=O)C(=O)N\N=C\c2ccc(Br)cc2)c(Cl)c(C)c1S(N)(=O)=O
Structure:
Search PDB for entries with ligand similarity: