Structure of PDB 7ozf Chain BBB Binding Site BS01

Receptor Information
>7ozf Chain BBB (length=282) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VSEYELPEDPRWELPRDRLVLGKPLGEGAFGQVVLAEAIGLDNRVTKVAV
KMLKSDATEKDLSDLISEMEMMKMIGKHKNIINLLGACTQDGPLYVIVEY
ASKGNLREYLQARRPPEQLSSKDLVSCAYQVARGMEYLASKKCIHRDLAA
RNVLVTEDNVMKIADFGLAIDYYKKTTNGRLPVKWMAPEALFDRIYTHQS
DVWSFGVLLWEIFTLGGSPYPGVPVEELFKLLKEGHRMDKPSNCTNELYM
MMRDCWHAVPSQRPTFKQLVEDLDRIVALTSN
Ligand information
Ligand ID466
InChIInChI=1S/C22H19N3O2/c1-2-27-18-10-6-9-16(13-18)17-11-12-19-20(14-17)24-25-21(19)23-22(26)15-7-4-3-5-8-15/h3-14H,2H2,1H3,(H2,23,24,25,26)
InChIKeyQKJLYUUEYRTLCL-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCOc1cccc(c1)c2ccc3c(c2)[nH]nc3NC(=O)c4ccccc4
CACTVS 3.385CCOc1cccc(c1)c2ccc3c([nH]nc3NC(=O)c4ccccc4)c2
FormulaC22 H19 N3 O2
NameN-[6-(3-ethoxyphenyl)-1H-indazol-3-yl]benzamide
ChEMBLCHEMBL5088013
DrugBank
ZINC
PDB chain7ozf Chain BBB Residue 801 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB7ozf From Fragment to Lead: De Novo Design and Development toward a Selective FGFR2 Inhibitor.
Resolution1.82 Å
Binding residue
(original residue number in PDB)		A512 K514 E531 V559 V561 Y563 A564 L630
Binding residue
(residue number reindexed from 1)		A49 K51 E68 V96 V98 Y100 A101 L154
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

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:7ozf, PDBe:7ozf, PDBj:7ozf
PDBsum7ozf
PubMed34780700
UniProtP11362|FGFR1_HUMAN Fibroblast growth factor receptor 1 (Gene Name=FGFR1)

[Back to BioLiP]