Reaction Details Report a problem with these data
Target
Carbonic anhydrase 1
Ligand
BDBM12416
Substrate
BDBM11402
Meas. Tech.
Competitive Displacement Binding Assay
pH
7±n/a
Temperature
298.15±n/a K
Kd
76±n/a nM
Citation
 Jude, KM; Banerjee, AL; Haldar, MK; Manokaran, S; Roy, B; Mallik, S; Srivastava, DK; Christianson, DW Ultrahigh resolution crystal structures of human carbonic anhydrases I and II complexed with "two-prong" inhibitors reveal the molecular basis of high affinity. J Am Chem Soc 128:3011-8 (2006) [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:
BDBM12416
Synonyms:
BR22 | copper(2+) ion 2-[(carboxylatomethyl)({[(3-{[2-(4-sulfamoylphenyl)ethyl]carbamoyl}phenyl)carbamoyl]methyl})amino]acetate
Type:
Small organic molecule
Emp. Form.:
C21H22N4O8S
Mol. Mass.:
490.487
SMILES:
NS(=O)(=O)c1ccc(CCNC(=O)c2cccc(NC(=O)CN(CC([O-])=O)CC([O-])=O)c2)cc1
Structure:
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Substrate
Name:
BDBM11402
Synonyms:
5-(dimethylamino)naphthalene-1-sulfonamide | dansylamide
Type:
Small organic molecule
Emp. Form.:
C12H14N2O2S
Mol. Mass.:
250.317
SMILES:
CN(C)c1cccc2c(cccc12)S(N)(=O)=O
Structure:
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