Structure of PDB 2wm3 Chain A Binding Site BS03

Receptor Information
>2wm3 Chain A (length=296) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DKKLVVVFGGTGAQGGSVARTLLEDGTFKVRVVTRNPRKKAAKELRLQGA
EVVQGDQDDQVIMELALNGAYATFIVTNYWESCSQEQEVKQGKLLADLAR
RLGLHYVVYSGLENIKKLTAGRLAAAHFDGKGEVEEYFRDIGVPMTSVRL
PCYFENLLSHFLPQKAPDGKSYLLSLPTGDVPMDGMSVSDLGPVVLSLLK
MPEKYVGQNIGLSTCRHTAEEYAALLTKHTRKVVHDAKMTPEDYEKLGFP
GARDLANMFRFYALRPDRDIELTLRLNPKALTLDQWLEQHKGDFNL
Ligand information
Ligand IDNFL
InChIInChI=1S/C13H9F3N2O2/c14-13(15,16)8-3-1-4-9(7-8)18-11-10(12(19)20)5-2-6-17-11/h1-7H,(H,17,18)(H,19,20)
InChIKeyJZFPYUNJRRFVQU-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc(cc(c1)Nc2c(cccn2)C(=O)O)C(F)(F)F
CACTVS 3.341OC(=O)c1cccnc1Nc2cccc(c2)C(F)(F)F
ACDLabs 10.04FC(F)(F)c1cc(ccc1)Nc2ncccc2C(=O)O
FormulaC13 H9 F3 N2 O2
Name2-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}NICOTINIC ACID;
2-[(3-TRIFLUOROMETHYL)PHENYL]AMINO-3-PYRIDINE-CARBOXYLIC ACID
ChEMBLCHEMBL63323
DrugBankDB04552
ZINCZINC000000125031
PDB chain2wm3 Chain A Residue 1301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2wm3 Crystal Structure of Nmra-Like Family Domain Containing Protein 1 in Complex with Niflumic Acid
Resolution1.85 Å
Binding residue
(original residue number in PDB)		L120 F263 L266
Binding residue
(residue number reindexed from 1)		L118 F261 L264
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0042802 identical protein binding
Cellular Component
GO:0005634 nucleus
GO:0005654 nucleoplasm
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0048471 perinuclear region of cytoplasm

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:2wm3, PDBe:2wm3, PDBj:2wm3
PDBsum2wm3
PubMed
UniProtQ9HBL8|NMRL1_HUMAN NmrA-like family domain-containing protein 1 (Gene Name=NMRAL1)

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