Structure of PDB 1oec Chain A Binding Site BS01

Receptor Information
>1oec Chain A (length=280) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ELPEDPKWEFPRDKLTLGKPLGEGCFGQVVMAEAVGIKPKEAVTVAVKML
KDDATEKDLSDLVSEMEMMKMIGKHKNIINLLGACTQDGPLYVIVEYASK
GNLREYLRARREQMTFKDLVSCTYQLARGMEYLASQKCIHRDLAARNVLV
TENNVMKIADFGLARDINNIDYYKKTTNGRLPVKWMAPEALFDRVYTHQS
DVWSFGVLMWEIFTLGGSPYPGIPVEELFKLLKEGHRMDKPANCTNELYM
MMRDCWHAVPSQRPTFKQLVEDLDRILTLT
Ligand information
Ligand IDAA2
InChIInChI=1S/C25H30ClN5O/c1-25(2,27)20-7-5-19(6-8-20)23-22(26)17-28-24(30-23)29-21-9-3-18(4-10-21)11-12-31-13-15-32-16-14-31/h3-10,17H,11-16,27H2,1-2H3,(H,28,29,30)
InChIKeyCJSSYVIHFXDFFC-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(C)(c1ccc(cc1)c2c(cnc(n2)Nc3ccc(cc3)CCN4CCOCC4)Cl)N
CACTVS 3.341CC(C)(N)c1ccc(cc1)c2nc(Nc3ccc(CCN4CCOCC4)cc3)ncc2Cl
ACDLabs 10.04Clc1c(nc(nc1)Nc2ccc(cc2)CCN3CCOCC3)c4ccc(cc4)C(N)(C)C
FormulaC25 H30 Cl N5 O
Name4-ARYL-2-PHENYLAMINO PYRIMIDINE;
4-[4-(1-AMINO-1-METHYLETHYL)PHENYL]-5-CHLORO-N-[4-(2-MORPHOLIN-4-YLETHYL)PHENYL]PYRIMIDIN-2-AMINE
ChEMBLCHEMBL233209
DrugBankDB02491
ZINCZINC000012502169
PDB chain1oec Chain A Residue 789 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1oec The Crystal Structure of the Fgfr2 Tyrosine Kinase Domain in Complex with 4-Aryl-2-Phenylamino Pyrimidine Angiogenesis Inhibitors
Resolution2.4 Å
Binding residue
(original residue number in PDB)		G490 A567 L633 D644
Binding residue
(residue number reindexed from 1)		G24 A98 L149 D160
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D626 A628 R630 N631 D644
Catalytic site (residue number reindexed from 1) D142 A144 R146 N147 D160
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: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:1oec, PDBe:1oec, PDBj:1oec
PDBsum1oec
PubMed
UniProtP21802|FGFR2_HUMAN Fibroblast growth factor receptor 2 (Gene Name=FGFR2)

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