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GPCR

Name	C-X-C chemokine receptor type 1
Species	Homo sapiens (Human)
Gene	CXCR1
Synonym	CDw128a IL8RA IL-8R A IL-8 receptor type I IL-8 receptor type 1 IL-8 receptor alpha High affinity interleukin-8 receptor A CXCR1-like CXCR-1 CXC-R1 CKR-1 CD181 CXCR1 [ Show all ]
Disease	N/A
Length	350
Amino acid sequence	MSNITDPQMWDFDDLNFTGMPPADEDYSPCMLETETLNKYVVIIAYALVFLLSLLGNSLVMLVILYSRVGRSVTDVYLLNLALADLLFALTLPIWAASKVNGWIFGTFLCKVVSLLKEVNFYSGILLLACISVDRYLAIVHATRTLTQKRHLVKFVCLGCWGLSMNLSLPFFLFRQAYHPNNSSPVCYEVLGNDTAKWRMVLRILPHTFGFIVPLFVMLFCYGFTLRTLFKAHMGQKHRAMRVIFAVVLIFLLCWLPYNLVLLADTLMRTQVIQESCERRNNIGRALDATEILGFLHSCLNPIIYAFIGQNFRHGFLKILAMHGLVSKEFLARHRVTSYTSSSVNVSSNL
UniProt	P25024
Protein Data Bank	N/A
GPCR-HGmod model	P25024
3D structure model	This predicted structure model is from GPCR-EXP P25024.
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL4029
IUPHAR	68
DrugBank	BE0003552

Ligand

Name	diclofenac
Molecular formula	C14H11Cl2NO2
IUPAC name	2-[2-(2,6-dichloroanilino)phenyl]acetic acid
Molecular weight	296.147
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	4.4
Synonyms	Spectrum5_000867 UNM000001216103 Xenid [2-(2,6-Dichloroanilino)phenyl]acetic acid Prestwick3_000594 Solaraze Diclo-Phlogont Diclofenac [INN:BAN] 2-(2,6-Dichloroanilino)phenylacetic Acid Diclophenac 2-[(2,6-dichlorophenyl)amino]phenylacetic acid DTXSID6022923 2-[2-[(2,6-Dichlorophenyl)amino]phenyl]acetic Acid (Diclofenac) Epitope ID:116873 ACETIC ACID, (o-(2,6-DICHLOROANILINO)PHENYL)- HSDB 7234 BC208012 KBio2_001410 BIDD:GT0380 KBioGR_001051 Cataflam M-7482 D07816 Novapirina SR-38 Voltaren Ophtha Zorovolex {2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid Oprea1_011155 Rhumalgan SPBio_001081 Diclofenaco [INN-Spanish] 2-[(2,6-dichlorophenyl)-amino]-benzeneacetic acid Dicrofenac 2-[2-(2,6-dichloroanilino)phenyl]acetic acid. EBD50236 AB01275502-01 GP-45,840 AK-75694 IDI1_000272 BDBM13066 KBio2_004874 BRD-K08252256-236-17-1 KBioSS_002308 MolPort-000-003-072 D3748 Nu-Diclo TC-110178 Voltaren-XR [2-(2,6-dichloro-phenylamino)-phenyl]-acetic acid Prestwick1_000594 SCHEMBL2799 Spectrum3_000385 Diclofenac acid 15307-86-5 Diclofenamic acid 2-[(2,6-dichlorophenyl)amino]-phenyl-acetic acid DivK1c_000402 2-[2-(2,6-dichlorophenylamino)phenyl]-acetic acid Effekton AC-27673 HMS2090C10 Apo-Diclo KBio1_000272 Benzeneacetic acid, 2-((2,6-dichlorophenyl)amino)- (9CI) KBio3_001389 BSPBio_002169 Lopac0_000441 CS-2862 NINDS_000272 dichlofenac Spectrum_000930 Voldal Z57664869 [2-(2,6-Dichloroanilino)phenyl]acetic acid # Primofenac Solaraze (TN) Diclo-Puren Diclofenac [USAN:INN:BAN] 2-(2-((2,6-Dichlorophenyl)amino)phenyl)acetic acid Diclord 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID Duravolten 2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid F0722-0745 ACMC-209d8r HY-15036 BCP09087 KBio2_002306 BPBio1_000516 KBioGR_002306 CGP-45840B MCULE-1824024270 D0TG1H Novo-Difenac ST51039044 Voltaren Rapide Zorvolex Pennsaid SBI-0051341.P003 SPBio_002687 o-(2,6-dichloroanilino)phenylacetic acid Diclofenac (sodium matrix patch, pain) 144O8QL0L1 Diclofenacum 2-[(2,6-dichlorophenyl)-amino]-phenyl-acetic acid DIF 2-[2-(2,6-dichlorophenyl)aminophenyl]ethanoic acid EC 239-348-5 AB01275502_02 GP-45840 AKOS001579542 IDI1_000402 Benfofen KBio2_006546 BRN 2146636 KS-000001OB CHEMBL139 NCGC00021125-01 DB00586 Spectrum4_000506 UNII-144O8QL0L1 Voltarol [2-(2,6-Dichloroanilino)phenyl]-acetic acid; 2-[2-(2,6-Dichlorophenyl)aminophenyl]ethanoic acid Prestwick2_000594 SMR001550371 Diclofenac resinate 2-((2,6-Dichlorophenyl)amino)benzeneacetic acid Diclonate P 2-[(2,6-Dichlorophenyl)amino]benzeneacetic acid Dolobasan 2-[2-[(2,6-dichlorophenyl)amino]phenyl]acetic acid EINECS 239-348-5 AC1L1F0T HMS501E04 Assaren KBio1_000402 Benzeneacetic acid, 2-[(2,6-dichlorophenyl)amino]- KBio3_002786 C01690 LS-11575 CTK8B0851 NINDS_000402 Dichlofenal SR-01000003041-3 Voltaren ZINC1281 [o-(2,6-dichloro-anilino)-phenyl]-acetic acid Olfen ProSorb-D Solaraze T Diclobenin 056D694 Diclofenaco 2-(2-(2,6-dichlorophenylamino)phenyl)acetic acid Dicloreum 2-[2-(2,6-dichloroanilino)phenyl]acetic acid Dyloject 2b17 FT-0624731 AJ-07992 I14-7739 BCP13860 KBio2_003978 BRD-K08252256-236-05-6 KBioSS_001410 CHEBI:47381 MLS006011795 D30801 Novo-Difenac SR STK984493 Voltaren SR Zorvolex (TN) Prestwick0_000594 SC-16284 Spectrum2_000991 Diclofenac (USAN/INN) 15307-81-0 (mono-potassium salt) Diclofenacum [INN-Latin] 2-[(2,6-dichlorophenyl)amino]-benzeneacetic acid DivK1c_000272 2-[2-(2,6-dichlorophenylamino)-phenyl]-acetic acid Ecofenac AB1009343 GTPL2714 ANW-21433 ISV-205 Benzeneacetic acid, 2-((2,6-dichlorophenyl)amino)- KBio2_007442 BSPBio_000468 KS-1258 cMAP_000014 NCGC00021125-02 DCOPUUMXTXDBNB-UHFFFAOYSA-N [ Show all ]
Inchi Key	DCOPUUMXTXDBNB-UHFFFAOYSA-N
Inchi ID	InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19)
PubChem CID	3033
ChEMBL	CHEMBL139
IUPHAR	N/A
BindingDB	13066
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	12.0 nM	PMID19560921	BindingDB,ChEMBL

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