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GLASS

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GPCR

Name	C-C chemokine receptor type 1
Species	Homo sapiens (Human)
Gene	CCR1
Synonym	macrophage inflammatory protein-1 alpha receptor MIP-1alpha-R MIP-1alpha/RANTES MIP-1alphaR MIP1aR RANTES-R Macrophage inflammatory protein 1-alpha receptor LD78 receptor HM145 C-C CKR-1 CC CKR1 CC-CKR-1 CCR-1 CCR1 CD191 CKR1 CMKBR1 [ Show all ]
Disease	Autoimmune diabetes Rheumatoid arthritis Chronic obstructive pulmonary disease
Length	355
Amino acid sequence	METPNTTEDYDTTTEFDYGDATPCQKVNERAFGAQLLPPLYSLVFVIGLVGNILVVLVLVQYKRLKNMTSIYLLNLAISDLLFLFTLPFWIDYKLKDDWVFGDAMCKILSGFYYTGLYSEIFFIILLTIDRYLAIVHAVFALRARTVTFGVITSIIIWALAILASMPGLYFSKTQWEFTHHTCSLHFPHESLREWKLFQALKLNLFGLVLPLLVMIICYTGIIKILLRRPNEKKSKAVRLIFVIMIIFFLFWTPYNLTILISVFQDFLFTHECEQSRHLDLAVQVTEVIAYTHCCVNPVIYAFVGERFRKYLRQLFHRRVAVHLVKWLPFLSVDRLERVSSTSPSTGEHELSAGF
UniProt	P32246
Protein Data Bank	N/A
GPCR-HGmod model	P32246
3D structure model	This predicted structure model is from GPCR-EXP P32246.
BioLiP	N/A
Therapeutic Target Database	T16016
ChEMBL	CHEMBL2413
IUPHAR	58
DrugBank	N/A

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	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 LS-284 1,10-Phenanthroline, Anhydrous NCGC00013043-02 22802-96-6 (hydrochloride) NCGC00013043-10 AC-18353 NCI4265 AKOS000281773 NSC203545 beta-phenanthroline TRA0078227 [1,10]phenanthroline phen cid_1318 SC-23392 DSSTox_CID_5857 FT-0660636 1,10 CPhenanthroline anhydrous KS-000044UM 1,10-Phenanthroline (anhydrous) MFCD00011678 1,10-phenathroline NCGC00013043-05 NCGC00091201-03 ACMC-209nwd NCIStruc2_000199 ANW-35243 o-Phenanthrolin C00604 TL8004718 W4X6ZO7939 CCG-38059 PHN CS-W004544 Solution forms containing 1,10-phenanthroline DTXSID1025857 HMS3371F11 1,10-Fenanthrolin [Czech] Lopac0_000985 1,10-Phenanthroline, 99+% MolPort-000-884-337 2-phenanthroline NCGC00013043-08 AA-860/25004133 NCGC00259547-01 AJ-16122 NSC-203545 BC213577 orthophenanthroline Tox21_500985 ZINC164363 P0879 RTR-022535 DB02365 ST45051101 F3377-1129 011P678 J-610043 1,10-phenanthrolin M-5271 1,10-Phenanthroline,hydrochloride NCGC00013043-03 3829-86-5 (mono-hydrochloride) NCGC00091201-01 AC1L1B7N NCI60_003976 AN-13060 NSC4265 BR-27000 UNII-W4X6ZO7939 Phenanthroline CJ-02115 SCHEMBL8312 DSSTox_GSID_25857 HMS2234D03 1,10 phenanthroline KSC241K8T 1,10-Phenanthroline anhydrous MLS000069797 1.10-phenanthroline NCGC00013043-06 66-71-7 NCGC00091201-04 Activ-8 NSC 203545 ARONIS014409 o-phenanthroline C12H8N2 Tox21_201998 WLN: T B666 CN NNJ CCRIS 4855 pyridino[3,2-h]quinoline CU-00000000156-1 SR-01000076093 EINECS 200-629-2 (OP)2Cu(I) I14-1787 1,10-Fenanthroline LP00985 1,10-Phenanthroline, >=99% NCGC00013043 21532-74-1 (monoperchlorate) NCGC00013043-09 AB1003025 NCGC00261670-01 AK-27000 NSC-4265 BDBM50092158 P 9375 TR-022535 [1,10]-Phenanthroline P1826 CHEMBL415879 SBB089685 DGEZNRSVGBDHLK-UHFFFAOYSA-N FT-0606035 1,1 0-phenanthroline K835 MCULE-2911225521 1,10-phenantroline NCGC00013043-04 4,5-diazaphenanthrene NCGC00091201-02 AC1Q2ARN NCIStruc1_000192 AN-21862 O-PHE C-1044 STL069281 W-104740 CAS-66-71-7 phenantroline copper phenanthroline SMR000058190 DSSTox_RID_77950 HMS3263E11 1,10-Fenanthrolin Lopac-P-9375 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 Tox21_303111 ZB008111 [ 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	5900.0 nM	PMID22957890	BindingDB,ChEMBL
EC50	6309.57 nM	PMID22957890	BindingDB,ChEMBL
FC	5.5 -	PMID22957890	ChEMBL
IC50	74000.0 nM	PMID22957890	BindingDB,ChEMBL
IC50	79432.8 nM	PMID22957890	BindingDB,ChEMBL
Inhibition	335.0 %	PMID22957890	ChEMBL

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