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Attributes

UniProt ID
Protein Name
Carbonic anhydrase 2
Ligand Name
8-({[4-(3-aminopropoxy)-8-({[4-hydroxy-8-({[4-(2-methylpropoxy)-8-({[4-(3-{[(4-sulfamoylbenzoyl)amino]methyl}phenoxy)butyl]carbamoyl}amino)quinolin-2-yl]carbonyl}amino)quinolin-2-yl]carbonyl}amino)quinolin-2-yl]carbonyl}amino)-4-(carboxymethoxy)quinoline-2-carboxylic acid
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
QYOLDZJQZAEMKE-UHFFFAOYSA-N
SMILES
CC(C)COc1cc(nc2c1cccc2NC(=O)NCCCCOc3cccc(c3)CNC(=O)c4ccc(cc4)S(=O)(=O)N)C(=O)Nc5cccc6c5nc(cc6O)C(=O)Nc7cccc8c7nc(cc8OCCCN)C(=O)Nc9cccc1c9nc(cc1OCC(=O)O)C(=O)O
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

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Structure: 4LP6
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Color Legend
Unassigned regionsLigand / hetero atomse4lp6A1e4lp6B1
ECOD domains from experimental PDB structures interacting with ligand Q4I
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
P00918n/aQ4I4lp6e4lp6A1A:4-260
P00918n/aQ4I4lp6e4lp6B1B:4-260