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GLASS

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GPCR

Name	5-hydroxytryptamine receptor 1E
Species	Homo sapiens (Human)
Gene	HTR1E
Synonym	5-hydroxytryptamine (serotonin) receptor 1E, G protein-coupled 5-HT1E_alpha 5-ht1e receptor 5-HT1E 5-HT-1E S31 Serotonin receptor 1E [ Show all ]
Disease	N/A
Length	365
Amino acid sequence	MNITNCTTEASMAIRPKTITEKMLICMTLVVITTLTTLLNLAVIMAIGTTKKLHQPANYLICSLAVTDLLVAVLVMPLSIIYIVMDRWKLGYFLCEVWLSVDMTCCTCSILHLCVIALDRYWAITNAIEYARKRTAKRAALMILTVWTISIFISMPPLFWRSHRRLSPPPSQCTIQHDHVIYTIYSTLGAFYIPLTLILILYYRIYHAAKSLYQKRGSSRHLSNRSTDSQNSFASCKLTQTFCVSDFSTSDPTTEFEKFHASIRIPPFDNDLDHPGERQQISSTRERKAARILGLILGAFILSWLPFFIKELIVGLSIYTVSSEVADFLTWLGYVNSLINPLLYTSFNEDFKLAFKKLIRCREHT
UniProt	P28566
Protein Data Bank	N/A
GPCR-HGmod model	P28566
3D structure model	This predicted structure model is from GPCR-EXP P28566.
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL2182
IUPHAR	4
DrugBank	BE0000476

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	CCG-101063 CTK0H7809 HMS2235K11 MLS000028365 NCGC00021540-06 2 ClAdo PDSP2_001193 2-Chloroado ST2409923 5-Chloroformycin A AJ-46476 AX8008046 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 2-Cl-Ado / 2-CADO ZINC3875976 7W7ZUG45G8 AKOS015995296 CADO CPD000058612 GTPL372 M-1270 NCGC00021540-04 146C770 PDSP2_000567 SCHEMBL104094 AC1L1S1S ANW-47074 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 TL8001029 AK-49403 BRN 0043957 CJ-11031 FT-0601308 KSC177Q0T NC00313 103090-47-7 PDSP1_000999 2-Chloro-9-(beta-D-ribofuranosyl)adenine RTX-011768 2-[6-Amino-2-(2-cyclopentyl-ethylamino)-purin-9-yl]-5-hydroxymethyl-tetrahydro-furan-3,4-diol AB0066073 AM83941 CC-10171 CS-W008344 HMS2051B22 MFCD00005734 NCGC00021540-05 2 Chloroadenosine PDSP2_000983 2-Chloroadenosinehemihydrate SMR000058612 4-26-00-03725 (Beilstein Handbook Reference) ADENOSINE, 2-CHLORO- AS-12085 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 UNII-7W7ZUG45G8 6-Amino-2-chloropurine riboside AKOS015896917 C-18836 Cl-Ado FT-0689532 LS-15106 NCGC00021540-03 146-77-0 PDSP1_001209 2-chloro-adenosine SAM001246886 2Cl-Ado AB1007209 AN-14534 [ 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.

Experimental Data

Parameter	Value	Reference	Database source
Inhibition	>50.0 %	PMID27933810	ChEMBL

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