Cheminformatic Tools and Databases for Pharmacology

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1 INNClassRoute (list)PK parameters= Cmax; Tmax; F: bioavailability; t1/2: half-life; VD: volume of distribution; Cl: clearance; PPB: plasma protein binding;(EQN means that value was calculated using VD=(Cl*t1/2)/0.693)Primary Target and PDB code of Protein-Drug complexTargets from DrugCentral Links
SULFANILAMIDE DISCONTINUED

SULFANILAMIDE


ATC D06BA05
ATC J01EB06

ANTIINFECTIVES
ANTIBIOTIC
ANTIBACTERIAL
SULFONAMIDE ANCHORS ARE COORDINATED TO THE ACTIVE SITE METAL ION OF THE ZINC ENZYME CARBONIC ANHYDRASE (CA, EC 4.2.1.1) (PMID17251017)

VAGINAL CARBONIC ANHYDRASE

PDB 4COQ (THE COMPLEX OF ALPHA-CARBONIC ANHYDRASE FROM THERMOVIBRIO AMMONIFICANS WITH INHIBITOR SULFANILAMIDE)

LIGAND CODE = SAN (link to the list of PDB complexes)

Download experimental 3D coordinates of SAN with added hydrogens

BACTERIAL DIHYDROPTEROATE SYNTHASE INHIBITOR CHEMBL2364668 BACTERIAL DIHYDROPTEROATE SYNTHASE P0AC13 DIHYDROPTEROATE SYNTHASE BACTERIA ENZYME TRANSFERASEANSM (in French)

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SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
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