Structure of PDB 7ozb Chain AAA Binding Site BS01

Receptor Information
>7ozb Chain AAA (length=288) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ELPEDPRWELPRDRLVLGKPLQVVLAEAIGLDKDKPNRVTKVAVKMLKSD
ATEKDLSDLISEMEMMKMIGKHKNIINLLGACTQDGPLYVIVEYASKGNL
REYLQARRPPGHNPEEQLSSKDLVSCAYQVARGMEYLASKKCIHRDLAAR
NVLVTEDNVMKIADFGLARDIHHIDYYKKTTNGRLPVKWMAPEALFDRIY
THQSDVWSFGVLLWEIFTLGGSPYPGVPVEELFKLLKEGHRMDKPSNCTN
ELYMMMRDCWHAVPSQRPTFKQLVEDLDRIVALTSNQE
Ligand information
Ligand ID47I
InChIInChI=1S/C23H22N4O/c28-20-8-3-16(4-9-20)18-5-10-21-22(15-18)25-26-23(21)17-1-6-19(7-2-17)27-13-11-24-12-14-27/h1-10,15,24,28H,11-14H2,(H,25,26)/p+1
InChIKeyOYKIIJTXTXJYKZ-UHFFFAOYSA-O
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(ccc1c2c3ccc(cc3[nH]n2)c4ccc(cc4)O)N5CC[NH2+]CC5
CACTVS 3.385Oc1ccc(cc1)c2ccc3c([nH]nc3c4ccc(cc4)N5CC[NH2+]CC5)c2
FormulaC23 H23 N4 O
Name4-[3-(4-piperazin-4-ium-1-ylphenyl)-1H-indazol-6-yl]phenol;
4-[3-(4-piperazin-1-ylphenyl)-1H-indazol-6-yl]phenol (uncharged compound's name)
ChEMBL
DrugBank
ZINC
PDB chain7ozb Chain AAA Residue 801 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7ozb From Fragment to Lead: De Novo Design and Development toward a Selective FGFR2 Inhibitor.
Resolution1.71 Å
Binding residue
(original residue number in PDB)		A512 K514 E531 Y563 A564 S565 G567 L630 D641
Binding residue
(residue number reindexed from 1)		A43 K45 E62 Y94 A95 S96 G98 L153 D164
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.10.1: receptor protein-tyrosine kinase.
Gene Ontology
Molecular Function
GO:0004672 protein kinase activity
GO:0004713 protein tyrosine kinase activity
GO:0005007 fibroblast growth factor receptor activity
GO:0005524 ATP binding
Biological Process
GO:0006468 protein phosphorylation

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Molecular Function
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Biological Process
External links
PDB RCSB:7ozb, PDBe:7ozb, PDBj:7ozb
PDBsum7ozb
PubMed34780700
UniProtP11362|FGFR1_HUMAN Fibroblast growth factor receptor 1 (Gene Name=FGFR1)

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