Structure of PDB 7ozd Chain AAA Binding Site BS01

Receptor Information
>7ozd Chain AAA (length=282) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ELPEDPRWELPRDRLVLGKPLGGQVVLAEAIGLDKDKPNRVTKVAVKMLK
SDATEKDLSDLISEMEMMKMIGKHKNIINLLGACTQDGPLYVIVEYASKG
NLREYLQARRPPGPEEQLSSKDLVSCAYQVARGMEYLASKKCIHRDLAAR
NVLVTEDNVMKIADFGLIDYYKKTTNGRLPVKWMAPEALFDRIYTHQSDV
WSFGVLLWEIFTLGGSPYPGVPVEELFKLLKEGHRMDKPSNCTNELYMMM
RDCWHAVPSQRPTFKQLVEDLDRIVALTSNQE
Ligand information
Ligand ID42I
InChIInChI=1S/C20H15N3O2/c24-16-9-6-13(7-10-16)15-8-11-17-18(12-15)22-23-19(17)21-20(25)14-4-2-1-3-5-14/h1-12,24H,(H2,21,22,23,25)
InChIKeyAZRYWRIZWVORFG-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385Oc1ccc(cc1)c2ccc3c([nH]nc3NC(=O)c4ccccc4)c2
OpenEye OEToolkits 2.0.7c1ccc(cc1)C(=O)Nc2c3ccc(cc3[nH]n2)c4ccc(cc4)O
FormulaC20 H15 N3 O2
NameN-[6-(4-hydroxyphenyl)-1H-indazol-3-yl]benzamide
ChEMBLCHEMBL4095682
DrugBank
ZINC
PDB chain7ozd 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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PDB7ozd From Fragment to Lead: De Novo Design and Development toward a Selective FGFR2 Inhibitor.
Resolution1.82 Å
Binding residue
(original residue number in PDB)		K514 E531 Y563 A564 L630 D641
Binding residue
(residue number reindexed from 1)		K47 E64 Y96 A97 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:7ozd, PDBe:7ozd, PDBj:7ozd
PDBsum7ozd
PubMed34780700
UniProtP11362|FGFR1_HUMAN Fibroblast growth factor receptor 1 (Gene Name=FGFR1)

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