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GLASS

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GPCR

Name	Adenosine receptor A1
Species	Rattus norvegicus (Rat)
Gene	Adora1
Synonym	A1 receptor A1-AR A1R adenosine receptor A1 RDC7
Disease	N/A for non-human GPCRs
Length	326
Amino acid sequence	MPPYISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKTVVTQRRAAVAIAGCWILSLVVGLTPMFGWNNLSVVEQDWRANGSVGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPTCQKPSILIYIAIFLTHGNSAMNPIVYAFRIHKFRVTFLKIWNDHFRCQPKPPIDEDLPEEKAED
UniProt	P25099
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL318
IUPHAR	18
DrugBank	N/A

Ligand

Name	adenosine
Molecular formula	C10H13N5O4
IUPAC name	(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Molecular weight	267.245
Hydrogen bond acceptor	8
Hydrogen bond donor	4
XlogP	-1.1
Synonyms	SPBio_001194 SR-96225 DB-022408 UNII-K72T3FS567 EINECS 200-389-9 HMS2235E24 MCULE-7071766082 Myocol NSC 627048 Pallacor RTR-020367 AC1L1U8O CJ-07924 Adenine nucleoside (2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol Adenocard 1-(6-amino-9H-purin-9-yl)-1-deoxy-beta-delta-Ribofuranose Adenosina 2fqy Adenosine, BioReagent, suitable for cell culture 41547-82-4 adenosine-8-13C 6-Amino-9-.beta.-ribofuranosyl-9H-purine AKOS015888594 9-.beta.-D-Ribofuranosyl-9H-purin-6-amine BDBM14487 9-beta-delta-Ribofuranosyl-9H-purin-6-amine Bio1_001415 9H-Purin-6-amine, 9beta-D-ribofuranosyl- Caswell No. 010B Spectrum3_000288 SUN-Y4001 DSSTox_CID_2558 ZINC2169830 FT-0082881 KB-47159 MFCD00065471 NCGC00023673-04 NSC627048 Polyriboadenosine Sandesin CHEBI:16335 ACT02616 Adenine-9-beta-D-ribofuranoside (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol Adenocor 177030-94-3 Adenosine (JAN/USP) 30143-02-3 Adenosine, Pharmaceutical Secondary Standard; Certified Reference Material 4cki Adenosinum 6-Amino-9beta-D-ribofuranosyl-9H-purine ANW-32994 9-beta-D-Ribofuranosidoadenine beta-D-Ribofuranose, 1-(6-amino-9H-purin-9-yl)-1-deoxy- 9beta-D-ribofuranosyl-9H-Purin-6-amine Boniton AB00384349-11 SR-05000001981-1 D00045 Tox21_110891_1 DTXSID1022558 HMS1920A13 KSC269K8P MLS006010946 NCGC00023673-07 Nucleocardyl RP29522 SDCCGMLS-0003108.P003 AC-27494 cid_191 Adenine 9-beta-D-arabinofuranoside adenine-9beta-delta-Ribofuranoside .beta.-D-Ribofuranoside, adenine-9 Adenosin 244769-76-4 Adenosine, 99+% 3H-adenosine Adenosine,(S) 5682-25-7 AJ-34020 9-.alpha.-D-Arabinofuranosyladenine AT-11502 9-beta-delta-Arabinofuranosyladenine Bio1_000437 9beta-delta-Ribofuranosyladenine C00212 SPECTRUM1500107 ST009496 USAF CB-10 Epitope ID:140947 HSDB 7774 MEDR-640 N6-Methylado NSC 7652 Pharmakon1600-01500107 S-3476 CCG-38824 AC1Q1ID3 CTK1G9587 Adenine riboside (2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol Adenocard (TN) 2gl0 Adenosine, European Pharmacopoeia (EP) Reference Standard 46946-45-6 adenosine-9-15N 6-Amino-9-beta-D-ribofuranosyl-9H-purine alpha-Adenosine 9-.beta.-d-Ribofuranosyladenine beta-Adenosine 9-beta-delta-Ribofuranosyladenine bmse000061 A0152 SR 96225 TL8003749 DSSTox_GSID_22558 [U-14C]adenosine FT-0620931 KBio3_001296 MLS000069638 NCGC00023673-05 NSC755857 PubChem9306 SBI-0206673.P002 Ade-Rib Adenine-9-ss-D-ribofuranoside .beta.-D-Adenosine Adenoscan 1dgm Adenosine [USAN:BAN] 3axz Adenosine, United States Pharmacopeia (USP) Reference Standard 4ckj Adensoine 6-Amino-9beta-delta-ribofuranosyl-9H-purine Arabinosyl-adenine 9-beta-D-Ribofuranosyl-9H-purin-6-amine beta-D-Ribofuranoside, adenine-9 9beta-D-Ribofuranosyladenine BR-77288 AB00384349_13 SMR000058216 SR-05000001981-2 D06IAR TR-020367 EA6C60C2-6AFB-4264-A2F0-541373DB950E HMS2091G13 LS-15085 MolPort-001-838-229 NCGC00178869-03 OIRDTQYFTABQOQ-KQYNXXCUSA-N RP29523 AC-8229 cid_60961 Adenine 9-beta-D-arabinofuranoside (Vidarabine) adenine-D-ribose 1-(6-amino-9H-purin-9-yl)-1-deoxy-beta-D-Ribofuranose Adenosin [German] Adenosine, >=99% 4-Aminopyrazolo[3,4-d]pyrimidine ribonucleoside adenosine-2-13C-N,1,3-15N3 58-61-7 AK-77288 9-.beta.-D-Ribofuranosidoadenine b-D-Adenosine 9-beta-delta-Ribofuranosidoadenine Bio1_000926 9H-Purin-6-amine, 9-.beta.-d-ribofuranosyl- CAS-58-61-7 Spectrum2_001257 ST2407911 DB00640 Z1741978458 Formycin A, from Streptomyces kaniharaensis, >=98% (HPLC) K72T3FS567 MFCD00005752 NCGC00023673-03 NSC-755857 Polyadenosine s1647 CCRIS 2557 AC1Q52XU D-Adenosine Adenine riboside, Adenine-9-beta-D-ribofuranoside (2R,3R,4S,5R)-2-(6-Aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol Adenocard, Adenosine 158749-77-0 Adenosine (Adenocard) 2ydo Adenosine, homopolymer 46969-16-8 adenosine-N-15N 6-Amino-9.beta.-D-ribofuranosyl-9H-purine AM83931 9-?-D-Ribofuranosyl-9H-purin-6-amine beta-D-Adenosine 9-ss-D-Ribofuranosyladenine bmse000996 AB0012292 SR-05000001981 Tox21_110891 DSSTox_RID_76628 GTPL2844 KS-0000010G MLS002153227 NCGC00023673-06 NSC7652 REGID_for_CID_60961 SCHEMBL731 AB00384349_14 CHEMBL477 Adenin riboside adenine-9beta-D-Ribofuranoside .beta.-D-Ribofuranose, 1-(6-amino-9H-purin-9-yl)-1-deoxy- Adenoscan (TN) 1odi Adenosine [USAN:USP:BAN] 3ay0 Adenosine, Vetec(TM) reagent grade, 98% 4pd9 AI3-52413 9-(beta-D-Arabinofuranosyl)adenine AS-12664 9-beta-D-Ribofuranosyladenine beta-delta-Adenosine 9beta-delta-ribofuranosyl-9H-Purin-6-amine BSPBio_001796 [ Show all ]
Inchi Key	OIRDTQYFTABQOQ-KQYNXXCUSA-N
Inchi ID	InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
PubChem CID	60961
ChEMBL	CHEMBL477
IUPHAR	2844
BindingDB	14487
DrugBank	DB00640
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	5.1 nM	PMID2258897	BindingDB,ChEMBL
Ki	10.0 nM	PMID10841798, PMID2374150	BindingDB,ChEMBL
Ki	12.8 nM	PMID2754691, Bioorg. Med. Chem. Lett., (1991) 1:9:481	ChEMBL
Ki	13.0 nM	, PMID2754691	BindingDB
Ki	20.2 nM	PMID8022403	BindingDB
Ki	73.0 nM	PMID14662005	IUPHAR
Ki	364.0 nM	PMID3010074	BindingDB
Ki	29000.0 nM	PMID7707320	BindingDB,ChEMBL

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