Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T32880 | Target Info | |||
| Target Name | HIF-prolyl hydroxylase 2 (HPH-2) | ||||
| Synonyms | SM-20; Prolyl hydroxylase domain-containing protein 2; PHD2; Hypoxia-inducible factor prolyl hydroxylase 2; HPH-2; HIF-PH2; Egl nine homolog 1; C1orf12 | ||||
| Target Type | Patented-recorded Target | ||||
| Gene Name | EGLN1 | ||||
| Biochemical Class | Paired donor oxygen oxidoreductase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | AKB-6548 | Ligand Info | |||
| Canonical SMILES | C1=CC(=CC(=C1)Cl)C2=CC(=C(N=C2)C(=O)NCC(=O)O)O | ||||
| InChI | 1S/C14H11ClN2O4/c15-10-3-1-2-8(4-10)9-5-11(18)13(16-6-9)14(21)17-7-12(19)20/h1-6,18H,7H2,(H,17,21)(H,19,20) | ||||
| InChIKey | JGRXMPYUTJLTKT-UHFFFAOYSA-N | ||||
| PubChem Compound ID | 23634441 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 5OX6 HIF prolyl hydroxylase 2 (PHD2/ EGLN1) in complex with Vadadustat | ||||||
| Method | X-ray diffraction | Resolution | 1.99 Å | Mutation | No | [1] |
| PDB Sequence |
LPALKLALEY
197 IVPCMNKHGI207 CVVDDFLGKE217 TGQQIGDEVR227 ALHDTGKFTD237 GQLVSQKSDS 247 SKDIRGDKIT257 WIEGKEPGCE267 TIGLLMSSMD277 DLIRHCNGKL287 GSYKINGRTK 297 AMVACYPGNG307 TGYVRHVDNP317 NGDGRCVTCI327 YYLNKDWDAK337 VSGGILRIFP 347 EGKAQFADIE357 PKFDRLLFFW367 SDRRNPHEVQ377 PAYATRYAIT387 VWYFDADERA 397 RAKVKYLKGV410 RV
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ASP254
3.713
ILE256
3.426
TRP258
2.760
MET299
2.634
ALA301
3.691
TYR303
2.540
TYR310
2.758
HIS313
2.807
ASP315
2.803
ARG322
4.769
ILE327
2.797
|
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| PDB ID: 7UMP CRYSTAL STRUCTURE OF PHD2 CATALYTIC DOMAIN (CID 7465) IN COMPLEX WITH AKB-6548 AT 1.8 A RESOLUTION | ||||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [2] |
| PDB Sequence |
LPALKLALEY
197 IVPCMNKHGI207 CVVDDFLGKE217 TGQQIGDEVR227 ALHDTGKFTD237 GMLVAQKSDS 247 SKDIRGDKIT257 WIEGKEPGCE267 TIGLLMSSMD277 DLIRHCNGKL287 GSYKINGRTK 297 AMVACYPGNG307 TGYVRHVDNP317 NGDGRCVTCI327 YYLNKDWDAK337 VSGGILRIFP 347 EGKAQFADIE357 PKFDRLLFFW367 SDRRNPHEVQ377 PAYATRYAIT387 VWYFDADERA 397 RAKVKY
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Molecular and cellular mechanisms of HIF prolyl hydroxylase inhibitors in clinical trials. Chem Sci. 2017 Nov 1;8(11):7651-7668. | ||||
| REF 2 | Preclinical Characterization of Vadadustat (AKB-6548), an Oral Small Molecule Hypoxia-Inducible Factor Prolyl-4-Hydroxylase Inhibitor, for the Potential Treatment of Renal Anemia. J Pharmacol Exp Ther. 2022 Oct;383(1):11-24. | ||||
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