Structure of PDB 7g0v Chain A Binding Site BS01
Receptor Information
>7g0v Chain A (length=134) Species:
9606
(Homo sapiens) [
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SHMCDAFVGTWKLVSSENFDDYMKEVGVGFATRKVAGMAKPNMIISVNGD
VITIKSESTFKNTEISFILGQEFDEVTADDRKVKSTITLDGGVLVHVQKW
DGKSTTIKRKREDDKLVVECVMKGVTSTRVYERA
Ligand information
Ligand ID
WLR
InChI
InChI=1S/C15H17F3O3/c16-15(17,18)11-5-3-6-12(8-11)21-9-10-4-1-2-7-13(10)14(19)20/h3,5-6,8,10,13H,1-2,4,7,9H2,(H,19,20)/t10-,13-/m0/s1
InChIKey
YNPDPYFNICZYBQ-GWCFXTLKSA-N
SMILES
Software
SMILES
CACTVS 3.385
OC(=O)[C@H]1CCCC[C@H]1COc2cccc(c2)C(F)(F)F
CACTVS 3.385
OC(=O)[CH]1CCCC[CH]1COc2cccc(c2)C(F)(F)F
OpenEye OEToolkits 2.0.7
c1cc(cc(c1)OCC2CCCCC2C(=O)O)C(F)(F)F
ACDLabs 12.01
FC(F)(F)c1cc(OCC2CCCCC2C(=O)O)ccc1
OpenEye OEToolkits 2.0.7
c1cc(cc(c1)OC[C@@H]2CCCC[C@@H]2C(=O)O)C(F)(F)F
Formula
C15 H17 F3 O3
Name
(1S,2R)-2-{[3-(trifluoromethyl)phenoxy]methyl}cyclohexane-1-carboxylic acid
ChEMBL
DrugBank
ZINC
PDB chain
7g0v Chain A Residue 201 [
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Receptor-Ligand Complex Structure
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PDB
7g0v
Crystal Structure of a human FABP4 complex
Resolution
1.06 Å
Binding residue
(original residue number in PDB)
F16 S55 K58 R126 Y128
Binding residue
(residue number reindexed from 1)
F19 S58 K61 R129 Y131
Annotation score
1
Enzymatic activity
Enzyme Commision number
?
Gene Ontology
Molecular Function
GO:0005324
long-chain fatty acid transmembrane transporter activity
GO:0005504
fatty acid binding
GO:0008289
lipid binding
GO:0036041
long-chain fatty acid binding
GO:0051427
hormone receptor binding
Biological Process
GO:0009617
response to bacterium
GO:0015908
fatty acid transport
GO:0015909
long-chain fatty acid transport
GO:0042632
cholesterol homeostasis
GO:0045892
negative regulation of DNA-templated transcription
GO:0050729
positive regulation of inflammatory response
GO:0050872
white fat cell differentiation
GO:0050873
brown fat cell differentiation
GO:0071285
cellular response to lithium ion
GO:0071356
cellular response to tumor necrosis factor
GO:0120162
positive regulation of cold-induced thermogenesis
Cellular Component
GO:0005634
nucleus
GO:0005737
cytoplasm
GO:0005811
lipid droplet
GO:0005829
cytosol
GO:0070062
extracellular exosome
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Molecular Function
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Biological Process
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Cellular Component
External links
PDB
RCSB:7g0v
,
PDBe:7g0v
,
PDBj:7g0v
PDBsum
7g0v
PubMed
UniProt
P15090
|FABP4_HUMAN Fatty acid-binding protein, adipocyte (Gene Name=FABP4)
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