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GLASS

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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	quercetin
Molecular formula	C15H10O7
IUPAC name	2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one
Molecular weight	302.238
Hydrogen bond acceptor	7
Hydrogen bond donor	5
XlogP	1.5
Synonyms	SPECTRUM1500672 NCGC00015870-21 SR-01000076098-11 NCGC00025016-05 SW148203-4 NCGC00254218-01 to_000078 NSC 9219 Prestwick0_000507 KUC104418N Quer Lopac0_000999 Quercetin, Sophoretin, Meletin, Quercetine MFCD00006828 REFJWTPEDVJJIY-UHFFFAOYSA-N NCGC00015870-03 SCHEMBL19723 NCGC00015870-12 3,3',4',5,7-Pentahydroxyflavone CS-3981 3,5,7-trihydroxy-2-(3,4-dihydroxyphenyl)-4H-chromen-4-one DS-3416 4mra EU-0100999 A1784/0075599 GTPL5346 AJ-46321 HMS3656C15 BDBM7460 KB-66753 BiomolKI2_000068 KBio3_000775 BRD-K97399794-335-03-1 C.I. 75670 2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one # CCRIS 1639 NCGC00015870-15 Spectrum4_000807 NCGC00015870-24 SR-01000076098-8 NCGC00025016-08 TNP00089 NCI-C60106 UPCMLD-DP081:001 NSC57655 KBioSS_000584 Prestwick3_000507 Kvercetin [Czech] Quercetin - Sophoretin LS-69030 Quercetin_sathishkumar MolPort-001-740-557 S00057 NCGC00015870-07 SMP1_000252 CHEMBL50 3,4',5,5',7-pentahydroxy-Flavone Cyanidelonon 1522 49643640-FD4C-4B93-BD28-0D7C2021CC52 DSSTox_RID_76017 73123-10-1 Flavone, 3,4',5,5',7-pentahydroxy- AC1NQWX8 HMS1923O19 AN-22768 HY-18085 Bio1_000369 KBio2_000584 BRD-9794 KBioGR_000408 BS0155 117-39-5 C.I. Natural yellow 10 & 13 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-chromone;hydrate SPBio_000217 NCGC00015870-18 SR-01000076098 NCGC00025016-03 ST24039236 NCGC00168962-03 Tox21_300285 NCIOpen2_007882 NUT0000107 KSC-23-76 Q0025 LNS-5662 Quercetin, >=95% (HPLC), solid MEGxp0_000381 Quertin NCGC00015870-01 SBB012521 NCGC00015870-10 CJ-10980 3,5,7,3',4'-Pentahydroxyflavone DB04216 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy- EINECS 204-187-1 9IKM0I5T1E FT-0655108 ACon1_000560 ZINC3869685 HMS3267M12 BAS 00649429 K00029 Bio2_000374 KBio2_005544 BRD-K97399794-001-09-6 BSPBio_002243 2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-1-benzopyran-4-one CAS-117-39-5 3',4',5,7-tetrahydroxyflavon-3-ol Spectrum2_000059 NCGC00015870-22 SR-01000076098-3 NCGC00025016-06 T-Gelb bzw. grun 1 NCGC00259857-01 UNII-9IKM0I5T1E NSC-9219 Prestwick1_000507 KUC107684N LP00999 Quercetin; 3,3',4',5,7-Pentahydroxyflavone MixCom3_000183 Ritacetin NCGC00015870-05 SCHEMBL219729 NCGC00015870-13 3,3',4',5,7-pentahydroxyflavone solution, 20 mM in DMSO CTK3J7142 3,7,3',4'-Pentahydroxyflavone DSSTox_CID_1218 5-18-05-00494 (Beilstein Handbook Reference) Flavin meletin AC-19596 HMS1362F09 AK106169 HMS501I07 BIDD:ER0315 KBio1_000485 BiomolKI_000062 KBio3_000776 BRD9794 C.I. Natural red 1 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one solution, 20 mM in DMSO CHEBI:16243 NCGC00015870-16 Spectrum5_001389 NCGC00025016-01 ST024706 NCGC00168962-01 Tocris-1125 NCI60_042036 WLN: T66 BO EVJ CR CQ DQ & DQ GQ IQ NSC58588 KS-0000021G Q 0125 LIM-5662 Quercetin content Maybridge1_008992 Quercetol N1841 s2391 NCGC00015870-08 SMR000112559 CI 75670 3,4',5,7-Pentahydroxyflavone Cyanidenolon 1522 4CN-0923 DTXSID4021218 Flavone,3',4',5,7-pentahydroxy- AC1Q795S HMS1990F09 ANW-73134 IDI1_000485 Bio1_000858 KBio2_002976 BRD-K97399794-001-02-1 KBioGR_001293 BSPBio_000433 17Q395 C.I. natural yellow 13 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one SPBio_002354 NCGC00015870-19 SR-01000076098-1 NCGC00025016-04 STK365650 NCGC00168962-04 Tox21_500999 NINDS_000485 P0042 KSC497C4F QUE Lopac-Q-0125 Quercetin, disposable screening library format Meletin Quertine NCGC00015870-02 SC-25667 NCGC00015870-11 CQ0011 3,5,7-Trihydroxy-2-(3,4-dihydroxyphenyl)-4H-chromen-4-on DivK1c_000485 4H-1-Benzopyran-4-one,2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-, zirconium(2+) salt (1:1) Enicostemma Littorale Blume A-8821 GP9232 AI3-26018 HMS3649D04 BBL005513 KB-221421 Bio2_000854 KBio2_005720 BRD-K97399794-001-11-2 C.I . natural yellow 10 2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one CCG-40054 3',5,7-Tetrahydroxyflavan-3-ol NCGC00015870-14 Spectrum3_000642 NCGC00015870-23 SR-01000076098-7 NCGC00025016-07 TNP00070 NCGC00261684-01 UPCMLD-DP081 NSC324608 KBioSS_000408 Prestwick2_000507 Kvercetin Quercetin (Sophoretin) LS-589 Quercetine MLS006011766 RTX-012622 NCGC00015870-06 SGCUT00001 3,3',4,5,7-Pentahydroxyflavone CU-01000012502-3 3cf8 DSSTox_GSID_21218 7255-55-2 Flavone, 3,3',4',5,7-pentahydroxy- AC-29756 HMS1792F09 AKOS000511724 HSDB 3529 BIDD:PXR0007 KBio2_000408 BPBio1_000477 KBio3_001463 BRN 0317313 C.I. Natural Yellow 10 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-chromen-4-one NCGC00015870-17 Spectrum_000124 NCGC00025016-02 ST057237 NCGC00168962-02 Tox21_202308 NCIOpen2_007628 NSC9219 KSC-10-126 Q-200333 LMPK12110004 Quercetin solution, 20 mM in DMSO MCULE-2433372790 Quercitin Natural Yellow 10 S295 NCGC00015870-09 Sophoretin CI Natural Yellow 10 3,5,7,3',4'-Pentahydroxyflavon D0K8KX 4dfu EBD2197934 74893-81-5 FT-0603318 AC1Q795T Xanthaurine HMS3263G19 AX8030401 IDI1_002129 Bio1_001347 KBio2_003152 BRD-K97399794-001-07-0 BSPBio_001068 2-(3,4-Dihydroxy-phenyl)-3,5,7-trihydroxy-chromen-4-one C00389 3',4',5,7-Tetrahydroxyflavan-3-ol [ Show all ]
Inchi Key	REFJWTPEDVJJIY-UHFFFAOYSA-N
Inchi ID	InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H
PubChem CID	5280343
ChEMBL	CHEMBL50
IUPHAR	N/A
BindingDB	7460
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	<32000.0 nM	PMID23437772	BindingDB,ChEMBL
IC50	<100000.0 nM	PMID23437772	ChEMBL
IC50	4500.0 nM	PMID23437772	BindingDB,ChEMBL
IC50	5011.87 nM	PMID23437772	ChEMBL

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