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GLASS

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GPCR

Name	C-C chemokine receptor type 5
Species	Homo sapiens (Human)
Gene	CCR5
Synonym	CD195 chemokine (C-C motif) receptor 5 (gene/pseudogene) CHEMR13 CCR5 CCR-5 CC-CKR-5 CC CKR5 HIV-1 fusion coreceptor C-C CKR-5 MIP-1 alpha receptor CKR5 [ Show all ]
Disease	Human immunodeficiency virus infection
Length	352
Amino acid sequence	MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL
UniProt	P51681
Protein Data Bank	4mbs, 6aky, 6akx, 5uiw
GPCR-HGmod model	P51681
3D structure model	This structure is from PDB ID 4mbs.
BioLiP	BL0430746, BL0430745, BL0430742,BL0430744, BL0430741,BL0430743, BL0382816, BL0256313,BL0256315, BL0256312,BL0256314
Therapeutic Target Database	T72171
ChEMBL	CHEMBL274
IUPHAR	62
DrugBank	BE0000911

Ligand

Name	1,10-phenanthroline
Molecular formula	C12H8N2
IUPAC name	1,10-phenanthroline
Molecular weight	180.21
Hydrogen bond acceptor	2
Hydrogen bond donor	0
XlogP	1.8
Synonyms	1,10-Phenanthroline, 99+% MolPort-000-884-337 2-phenanthroline NCGC00013043-08 AA-860/25004133 NCGC00259547-01 AJ-16122 NSC-203545 BC213577 orthophenanthroline CCG-38059 PHN CS-W004544 Solution forms containing 1,10-phenanthroline DTXSID1025857 HMS3371F11 1,10-Fenanthrolin [Czech] Lopac0_000985 Tox21_500985 ZINC164363 M-5271 1,10-Phenanthroline,hydrochloride NCGC00013043-03 3829-86-5 (mono-hydrochloride) NCGC00091201-01 AC1L1B7N NCI60_003976 AN-13060 NSC4265 BR-27000 P0879 RTR-022535 DB02365 ST45051101 F3377-1129 011P678 J-610043 1,10-phenanthrolin UNII-W4X6ZO7939 1,10-Phenanthroline anhydrous MLS000069797 1.10-phenanthroline NCGC00013043-06 66-71-7 NCGC00091201-04 Activ-8 NSC 203545 ARONIS014409 o-phenanthroline C12H8N2 Phenanthroline CJ-02115 SCHEMBL8312 DSSTox_GSID_25857 HMS2234D03 1,10 phenanthroline KSC241K8T Tox21_201998 WLN: T B666 CN NNJ LP00985 1,10-Phenanthroline, >=99% NCGC00013043 21532-74-1 (monoperchlorate) NCGC00013043-09 AB1003025 NCGC00261670-01 AK-27000 NSC-4265 BDBM50092158 P 9375 CCRIS 4855 pyridino[3,2-h]quinoline CU-00000000156-1 SR-01000076093 EINECS 200-629-2 (OP)2Cu(I) I14-1787 1,10-Fenanthroline TR-022535 [1,10]-Phenanthroline MCULE-2911225521 1,10-phenantroline NCGC00013043-04 4,5-diazaphenanthrene NCGC00091201-02 AC1Q2ARN NCIStruc1_000192 AN-21862 O-PHE C-1044 P1826 CHEMBL415879 SBB089685 DGEZNRSVGBDHLK-UHFFFAOYSA-N FT-0606035 1,1 0-phenanthroline K835 STL069281 W-104740 1,10-Phenanthroline in combination with isoniazid and rifampicin MLS002701886 16561-55-0 (zinc salt) NCGC00013043-07 A835532 NCGC00257123-01 Activ-8 in hexylene glycol NSC 4265 AS-14043 Opera_ID_711 CAS-66-71-7 phenantroline copper phenanthroline SMR000058190 DSSTox_RID_77950 HMS3263E11 1,10-Fenanthrolin Lopac-P-9375 Tox21_303111 ZB008111 LS-284 1,10-Phenanthroline, Anhydrous NCGC00013043-02 22802-96-6 (hydrochloride) NCGC00013043-10 AC-18353 NCI4265 AKOS000281773 NSC203545 beta-phenanthroline P0221 CHEBI:44975 RP24170 Cyto5A5 SR-01000076093-1 EU-0100985 .beta.-Phenanthroline InChI=1/C12H8N2/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1/h1-8 1,10-o-phenanthroline TRA0078227 [1,10]phenanthroline 1,10-Phenanthroline (anhydrous) MFCD00011678 1,10-phenathroline NCGC00013043-05 NCGC00091201-03 ACMC-209nwd NCIStruc2_000199 ANW-35243 o-Phenanthrolin C00604 phen cid_1318 SC-23392 DSSTox_CID_5857 FT-0660636 1,10 CPhenanthroline anhydrous KS-000044UM TL8004718 W4X6ZO7939 [ Show all ]
Inchi Key	DGEZNRSVGBDHLK-UHFFFAOYSA-N
Inchi ID	InChI=1S/C12H8N2/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1/h1-8H
PubChem CID	1318
ChEMBL	CHEMBL415879
IUPHAR	N/A
BindingDB	50092158
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
EC50	4900.0 nM	PMID22957890	BindingDB,ChEMBL
EC50	5011.87 nM	PMID22957890	BindingDB,ChEMBL
FC	5.0 -	PMID22957890	ChEMBL
IC50	50118.7 nM	PMID22957890	BindingDB,ChEMBL
IC50	53000.0 nM	PMID22957890	BindingDB,ChEMBL
Inhibition	698.0 %	PMID22957890	ChEMBL

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