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GLASS

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GPCR

Name	5-hydroxytryptamine receptor 1A
Species	Rattus norvegicus (Rat)
Gene	Htr1a
Synonym	5-HT1A receptor 5-hydroxytryptamine (serotonin) receptor 1A, G protein-coupled 5-HT1A ADRB2RL1 ADRBRL1 5-HT-1A Gpcr18 Serotonin receptor 1A [ Show all ]
Disease	N/A for non-human GPCRs
Length	422
Amino acid sequence	MDVFSFGQGNNTTASQEPFGTGGNVTSISDVTFSYQVITSLLLGTLIFCAVLGNACVVAAIALERSLQNVANYLIGSLAVTDLMVSVLVLPMAALYQVLNKWTLGQVTCDLFIALDVLCCTSSILHLCAIALDRYWAITDPIDYVNKRTPRRAAALISLTWLIGFLISIPPMLGWRTPEDRSDPDACTISKDHGYTIYSTFGAFYIPLLLMLVLYGRIFRAARFRIRKTVRKVEKKGAGTSLGTSSAPPPKKSLNGQPGSGDWRRCAENRAVGTPCTNGAVRQGDDEATLEVIEVHRVGNSKEHLPLPSESGSNSYAPACLERKNERNAEAKRKMALARERKTVKTLGIIMGTFILCWLPFFIVALVLPFCESSCHMPALLGAIINWLGYSNSLLNPVIYAYFNKDFQNAFKKIIKCKFCRR
UniProt	P19327
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	CHEMBL273
IUPHAR	1
DrugBank	N/A

Ligand

Name	1-(3-Chlorophenyl)piperazine
Molecular formula	C10H13ClN2
IUPAC name	1-(3-chlorophenyl)piperazine
Molecular weight	196.678
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	1.7
Synonyms	STK397316 BCP15052 W-104754 CCG-204340 DB-024578 EINECS 229-654-7 L000009 (3-chloro-phenyl)-piperazine meta chlorophenyl piperazine 1-(3-Chlorophenyl)-piperazine NCGC00015247-03 NSC-49307 6640-24-0 R1689 AKOS000101295 Tox21_110110 BPBio1_000067 CHEMBL478 DSSTox_CID_25138 GF-0110 LS-107647 (m-CPP) N-(3-Chlorophenyl)piperazine 1-(3-Chlorophenyl)piperazine (MCPP) NCGC00015247-07 4-(3-chlorophenyl)-piperazine PDSP2_000002 AC-23379 RTR-022485 AN-7476 BBL008938 UNII-REY0CNO998 C11738 D0J6JT DTXSID9045138 KS-0000021N m-CPP 1-(3-chloro-phenyl)-piperazine NCGC00015247-01 1-M-Chlorophenyl Piperazine Metabolite NCGC00024836-03 Piperazine, 1-(3-chlorophenyl)- AJ-08201 ST2403154 T993 BDBM50001915 ZINC4285 CHEBI:10588 F2190-0347 Lopac-C-5554 (3-chlorophenyl)-piperazine meta-chlorophenylpiperazine 1-(3-chlorophenyl)-piperazine (m-CPP) NCGC00015247-04 3-Chlorophenyl piperazine NSC49307 A8960 REY0CNO998 ALBB-005970 ANW-45669 Tox21_110110_1 BRD-K75844781-001-01-9 CS-D0555 DSSTox_GSID_45138 GTPL142 m-Chlorophenylpiperazine N-(m-chlorophenyl)-piperazine 1-(m-Chlorophenyl)piperazine NCGC00024836-01 4-(3-Chlorophenyl)piperazine PIP086 AC1L1BAK SBB003579 BC205297 VHFVKMTVMIZMIK-UHFFFAOYSA-N CAS-6640-24-0 D0S5FQ EC 229-654-7 KSC497Q2J MCULE-2169847421 1-(3-Chlorophenyl) piperazine NCGC00015247-02 13078-15-4 (mono-hydrochloride) NSC 49307 51639-49-7 (di-hydrochloride) Piperazine, 1-(m-chlorophenyl)- AJ-333/09217060 ST45255371 Tocris-0875 Biomol-NT_000129 DB12110 FT-0605615 Lopac0_000245 (3-chlorophenyl)piperazine MolPort-000-153-472 NCGC00015247-05 3-chlorophenylpiperazine PDSP1_000002 AB0018971 RL04537 AN-16609 BB 0254666 TR-022485 BRD-K75844781-003-03-1 CTK3J7824 DSSTox_RID_80696 KB-08690 m-chlorophenylpiperazine (m-CPP) 1-(3-Chloro Phenyl)Piperazine N-(m-Chlorophenyl)piperazine 1-3-CPP NCGC00024836-02 4-(m-chlorophenyl)piperazine Piperazine, (3-chlorophenyl)- AC1Q3K46 SCHEMBL48931 [ Show all ]
Inchi Key	VHFVKMTVMIZMIK-UHFFFAOYSA-N
Inchi ID	InChI=1S/C10H13ClN2/c11-9-2-1-3-10(8-9)13-6-4-12-5-7-13/h1-3,8,12H,4-7H2
PubChem CID	1355
ChEMBL	CHEMBL478
IUPHAR	142
BindingDB	50001915
DrugBank	DB12110
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Hill coefficient	0.91 -	PMID3172131	ChEMBL
Ki	16.0 nM	PMID9400006	BindingDB
Ki	23.0 nM	PMID2565400	BindingDB,ChEMBL
Ki	130.0 nM	PMID3172131, PMID8893838	BindingDB,ChEMBL
Ki	143.0 nM	PMID1535661, PMID8410989	BindingDB,ChEMBL
Ki	144.54 nM	PMID8568799	ChEMBL
Ki	200.0 nM	PMID8410989	BindingDB,ChEMBL
Ki	2400.0 nM	PMID3543362	BindingDB,ChEMBL
KiAH	131.0 nM	PMID1535661	ChEMBL

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