Online Services

●I-TASSER ●I-TASSER-MTD ●C-I-TASSER ●CR-I-TASSER ●QUARK ●C-QUARK ●LOMETS ●MUSTER ●CEthreader ●SEGMER ●DeepFold ●DeepFoldRNA ●FoldDesign ●COFACTOR ●COACH ●MetaGO ●TripletGO ●IonCom ●FG-MD ●ModRefiner ●REMO ●DEMO ●DEMO-EM ●SPRING ●COTH ●Threpp ●PEPPI ●BSpred ●ANGLOR ●EDock ●BSP-SLIM ●SAXSTER ●FUpred ●ThreaDom ●ThreaDomEx ●EvoDesign ●BindProf ●BindProfX ●SSIPe ●GPCR-I-TASSER ●MAGELLAN ●ResQ ●STRUM ●DAMpred

●TM-score ●TM-align ●US-align ●MM-align ●RNA-align ●NW-align ●LS-align ●EDTSurf ●MVP ●MVP-Fit ●SPICKER ●HAAD ●PSSpred ●3DRobot ●MR-REX ●I-TASSER-MR ●SVMSEQ ●NeBcon ●ResPRE ●TripletRes ●DeepPotential ●WDL-RF ●ATPbind ●DockRMSD ●DeepMSA ●FASPR ●EM-Refiner ●GPU-I-TASSER

●BioLiP ●E. coli ●GLASS ●GPCR-HGmod ●GPCR-RD ●GPCR-EXP ●Tara-3D ●TM-fold ●DECOYS ●POTENTIAL ●RW/RWplus ●EvoEF ●HPSF ●THE-DB ●ADDRESS ●Alpaca-Antibody ●CASP7 ●CASP8 ●CASP9 ●CASP10 ●CASP11 ●CASP12 ●CASP13 ●CASP14

You can:

Check the ligand table for details.
Go to the GPCR list to see GPCRs with which this ligand interacts.
Go to the individual GPCR page for PubMed ID information by text mining.
Download a TSV version of all interaction data.
Go back to previous page.

Ligand

Name	2-Chloroadenosine
Molecular formula	C10H12ClN5O4
IUPAC name	(2R,3R,4S,5R)-2-(6-amino-2-chloropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Molecular weight	301.687
Hydrogen bond acceptor	8
Hydrogen bond donor	4
XlogP	-0.1
Synonyms	ST2409923 5-Chloroformycin A AJ-46476 AX8008046 CCG-101063 CTK0H7809 HMS2235K11 MLS000028365 NCGC00021540-06 2 ClAdo PDSP2_001193 2-Chloroado 2-Cl-Ado / 2-CADO ZINC3875976 7W7ZUG45G8 AKOS015995296 BR-49403 CHEMBL285819 EINECS 205-678-3 KS-00000NB1 MolPort-003-928-215 (2R,3R,4S,5R)-2-(6-amino-2-chloropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol PDSP1_000569 2-Chloro Adenosine RL01849 SCHEMBL104094 AC1L1S1S ANW-47074 CADO CPD000058612 GTPL372 M-1270 NCGC00021540-04 146C770 PDSP2_000567 TL8001029 AK-49403 BDBM50009525 CHEBI:125640 D0C2UJ Jsp002712 MLS001424176 (2R,3R,4S,5R)-2-(6-amino-2-chloro-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol NSC 36896 2-(6-Amino-2-chloro-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol PubChem14159 2-chloro[3h]adenosine 2-[6-Amino-2-(2-cyclopentyl-ethylamino)-purin-9-yl]-5-hydroxymethyl-tetrahydro-furan-3,4-diol AB0066073 AM83941 BRN 0043957 CJ-11031 FT-0601308 KSC177Q0T NC00313 103090-47-7 PDSP1_000999 2-Chloro-9-(beta-D-ribofuranosyl)adenine RTX-011768 SMR000058612 4-26-00-03725 (Beilstein Handbook Reference) ADENOSINE, 2-CHLORO- AS-12085 CC-10171 CS-W008344 HMS2051B22 MFCD00005734 NCGC00021540-05 2 Chloroadenosine PDSP2_000983 2-Chloroadenosinehemihydrate UNII-7W7ZUG45G8 6-Amino-2-chloropurine riboside AKOS015896917 BIXYYZIIJIXVFW-UUOKFMHZSA-N DB-005234 KB-44588 MLS002153284 (2R,3R,4S,5R)-2-(6-amino-2-chloro-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol Opera_ID_460 2-CADO REGID_for_CID_8974 2-CI Adenosine 2Cl-Ado AB1007209 AN-14534 C-18836 Cl-Ado FT-0689532 LS-15106 NCGC00021540-03 146-77-0 PDSP1_001209 2-chloro-adenosine SAM001246886 [ Show all ]
Inchi Key	BIXYYZIIJIXVFW-UUOKFMHZSA-N
Inchi ID	InChI=1S/C10H12ClN5O4/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,14,15)/t3-,5-,6-,9-/m1/s1
PubChem CID	8974
ChEMBL	CHEMBL285819
IUPHAR	372
BindingDB	50009525
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Click GLASS IDs to check the association information.
Click protein names to check details of the GPCRs.
Download a TSV version of all interaction information.

GLASS ID	Name	UniProt	Gene	Species	Length
536627	5-hydroxytryptamine receptor 1A	P08908	HTR1A	Homo sapiens (Human)	422
536621	5-hydroxytryptamine receptor 1B	P28222	HTR1B	Homo sapiens (Human)	390
536620	5-hydroxytryptamine receptor 1D	P28221	HTR1D	Homo sapiens (Human)	377
536624	5-hydroxytryptamine receptor 1E	P28566	HTR1E	Homo sapiens (Human)	365
536617	5-hydroxytryptamine receptor 2A	P28223	HTR2A	Homo sapiens (Human)	471
536626	5-hydroxytryptamine receptor 2B	P41595	HTR2B	Homo sapiens (Human)	481
536622	5-hydroxytryptamine receptor 2C	P28335	HTR2C	Homo sapiens (Human)	458
536619	5-hydroxytryptamine receptor 4	Q13639	HTR4	Homo sapiens (Human)	388
536618	5-hydroxytryptamine receptor 5A	P47898	HTR5A	Homo sapiens (Human)	357
536623	5-hydroxytryptamine receptor 6	P50406	HTR6	Homo sapiens (Human)	440
536625	5-hydroxytryptamine receptor 7	P34969	HTR7	Homo sapiens (Human)	479
24843	Adenosine receptor A1	P25099	Adora1	Rattus norvegicus (Rat)	326
24844	Adenosine receptor A1	P28190	ADORA1	Bos taurus (Bovine)	326
24848	Adenosine receptor A1	P30542	ADORA1	Homo sapiens (Human)	326
24853	Adenosine receptor A1	P47745	ADORA1	Cavia porcellus (Guinea pig)	326
24841	Adenosine receptor A2a	P30543	Adora2a	Rattus norvegicus (Rat)	410
24849	Adenosine receptor A2a	P46616	ADORA2A	Cavia porcellus (Guinea pig)	409
24850	Adenosine receptor A2a	P29274	ADORA2A	Homo sapiens (Human)	412
24847	Adenosine receptor A2b	P29275	ADORA2B	Homo sapiens (Human)	332
24855	Adenosine receptor A2b	Q1LZD0	ADORA2B	Bos taurus (Bovine)	332

zhanglab

zhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417