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Go to the GPCR, ligand, or experimental data tables.
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GPCR

Name	Adenosine receptor A2b
Species	Rattus norvegicus (Rat)
Gene	Adora2b
Synonym	A2b A2B receptor A2BR adenosine receptor A2b
Disease	N/A for non-human GPCRs
Length	332
Amino acid sequence	MQLETQDALYVALELVIAALAVAGNVLVCAAVGASSALQTPTNYFLVSLATADVAVGLFAIPFAITISLGFCTDFHSCLFLACFVLVLTQSSIFSLLAVAVDRYLAIRVPLRYKGLVTGTRARGIIAVLWVLAFGIGLTPFLGWNSKDRATSNCTEPGDGITNKSCCPVKCLFENVVPMSYMVYFNFFGCVLPPLLIMMVIYIKIFMVACKQLQHMELMEHSRTTLQREIHAAKSLAMIVGIFALCWLPVHAINCITLFHPALAKDKPKWVMNVAILLSHANSVVNPIVYAYRNRDFRYSFHRIISRYVLCQTDTKGGSGQAGGQSTFSLSL
UniProt	P29276
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	CHEMBL2592
IUPHAR	20
DrugBank	N/A

Ligand

Name	Rauwolscine
Molecular formula	C21H26N2O3
IUPAC name	methyl (1S,15S,18S,19S,20S)-18-hydroxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate
Molecular weight	354.45
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	2.9
Synonyms	yohimban-16-carboxylic acid, 17-hydroxy-, methyl ester, (16beta,17alpha,20alpha)- AB00514662 BRD-K77474816-003-05-9 CHEMBL10347 DTXSID2045608 KBio2_004506 Methyl (16beta,17alpha,20alpha)-17-hydroxyyohimban-16-carboxylate Prestwick0_000577 SPBio_000919 SR-01000075289-6 Yohimban-16-carboxylicacid, 17-hydroxy-, methyl ester, (16b,17a,20a)- AKOS032948426 BSPBio_003221 D0Z7EA GTPL223 KBioGR_000938 methyl hydroxy[?]carboxylate Prestwick3_000577 Spectrum3_001761 T4LJ7LU45W 20-alpha-Yohimban-16-beta-carboxylic acid, 17-alpha-hydroxy-, methyl ester 4CN-1422 BPBio1_000434 CHEBI:48562 DSSTox_GSID_45608 KBio1_000414 meso-Yohimbine NCGC00017260-06 SCHEMBL244514 Spectrum_001458 .alpha.-Yohimbine W1076 Yohimban-16-carboxylic acid, 17-hydroxy-, methyl ester, (16beta,17alpha,20alpha)- (9CI) AC1LD7LA BRD-K77474816-003-09-1 Corynanthidine EINECS 205-006-9 KBio2_007074 methyl (1S,15S,18S,19S,20S)-18-hydroxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate Prestwick1_000577 SPBio_002613 SR-01000075289-7 17-alpha-Hydroxy-20-alpha-yohimban-16-beta-carboxylic acid methyl ester 20alpha-Yohimban-16beta-carboxylic acid, 17alpha-hydroxy-, methyl ester (8CI) ZINC3977785 alpha-Yohimbine CAS-131-03-3 DivK1c_000414 IDI1_000414 KBioSS_001938 MolPort-002-513-616 Spectrum4_000319 Tox21_110811 BRD-K77474816-003-04-2 DSSTox_RID_81001 KBio2_001938 Mesoyohimbine NINDS_000414 SDCCGMLS-0066742.P001 SR-01000075289 131-03-3 Yohimban-16-carboxylic acid, 17-hydroxy-, methyl ester, (16-beta,17-alpha,20-alpha)- (9CI) Yohimban-16-carboxylic acid, 17-hydroxy-, methyl ester, (17alpha,20alpha)- AJ-47559 BSPBio_000394 D02MFI GTPL136 KBio3_002721 methyl 17alpha-hydroxy-20alpha-yohimban-16beta-carboxylate Prestwick2_000577 Spectrum2_000870 SR-01000075289-8 17alpha-hydroxy-20alpha-yohimban-16beta-carboxylic acid methyl ester [3H]rauwolscine BDBM50026636 CCG-205170 DSSTox_CID_25608 Isoyohimbine Lopac0_001093 NCGC00017260-05 Rauwolscine (6CI,7CI) Spectrum5_001121 UNII-T4LJ7LU45W [ Show all ]
Inchi Key	BLGXFZZNTVWLAY-DIRVCLHFSA-N
Inchi ID	InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15+,17+,18+,19+/m1/s1
PubChem CID	643606
ChEMBL	CHEMBL10347
IUPHAR	136, 223
BindingDB	50026636
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Kd	13.8 nM	PMID6133953	BindingDB,ChEMBL
Kd	14.0 nM	PMID6133953	BindingDB
Kd	95.5 nM	PMID6133953	ChEMBL

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