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GPCR

Name	Prostacyclin receptor
Species	Homo sapiens (Human)
Gene	PTGIR
Synonym	prostanoid IP receptor prostaglandin I2 receptor prostaglandin I2 (prostacyclin) receptor (IP) prostacyclin receptor PGI2 receptor PGI receptor IP receptor [ Show all ]
Disease	Solid tumours Pulmonary hypertension Medical abortion Pulmonary arterial hypertension Hypertension Gout Chronic renal failure Asthma Aborting second-trimester pregnancy Pulmonary arterial hypertension; Thrombosis [ Show all ]
Length	386
Amino acid sequence	MADSCRNLTYVRGSVGPATSTLMFVAGVVGNGLALGILSARRPARPSAFAVLVTGLAATDLLGTSFLSPAVFVAYARNSSLLGLARGGPALCDAFAFAMTFFGLASMLILFAMAVERCLALSHPYLYAQLDGPRCARLALPAIYAFCVLFCALPLLGLGQHQQYCPGSWCFLRMRWAQPGGAAFSLAYAGLVALLVAAIFLCNGSVTLSLCRMYRQQKRHQGSLGPRPRTGEDEVDHLILLALMTVVMAVCSLPLTIRCFTQAVAPDSSSEMGDLLAFRFYAFNPILDPWVFILFRKAVFQRLKLWVCCLCLGPAHGDSQTPLSQLASGRRDPRAPSAPVGKEGSCVPLSAWGEGQVEPLPPTQQSSGSAVGTSSKAEASVACSLC
UniProt	P43119
Protein Data Bank	N/A
GPCR-HGmod model	P43119
3D structure model	This predicted structure model is from GPCR-EXP P43119.
BioLiP	N/A
Therapeutic Target Database	T99954
ChEMBL	CHEMBL1995
IUPHAR	345
DrugBank	BE0000475

Ligand

Name	17-phenyl-trinor-PGE2
Molecular formula	C23H30O5
IUPAC name	(Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxy-5-phenylpent-1-enyl]-5-oxocyclopentyl]hept-5-enoic acid
Molecular weight	386.488
Hydrogen bond acceptor	5
Hydrogen bond donor	3
XlogP	2.8
Synonyms	BSPBio_001369 GTPL1912 MolPort-027-640-885 Z-3298 17-Ph-trinor-PGE2 17-phenyl-PGE2 38315-43-4 CHEMBL1879970 HMS1989E11 NCGC00161300-03 17-phenyl-18,19,20-trinor-PGE2 17-phenyl-trinor-prostaglandin E2 9-oxo-11R,15S-dihydroxy-17-phenyl-18,19,20-trinor-5Z,13E-prostadienoic acid BML2-B01 FA(23:5)(OH2,Ke,cyclo2) IDI1_033839 SR-01000946438 1271AH 17-phenyl-omega-trinor-PGE2 17-phenyltrinorprostaglandin E2 CAS_38315-43-4 HMS1361E11 NCGC00161300-01 ZINC13815368 17-phenyl trinor PGE2 17-Phenyl-trinor-PGE..2.. CL 116147 HMS3402E11 PGE2,17-Phenyl (5Z)-7-{(1R,2R,3R)-3-hydroxy-2-[(1E,3S)-3-hydroxy-5-phenylpent-1-en-1-yl]-5-oxocyclopentyl}hept-5-enoic acid 17-phenyl-18,19,20-trinor-prostaglandin E2 17-phenyltrinor-PGE2 AC1NR1GD BRD-K90214371-001-02-0 FOBVMYJQWZOGGJ-XYRJXBATSA-N LMFA03010067 SR-01000946438-1 17-Ph-omega-trinor-PGE2 17-phenyl-omega-trinor-prostaglandin E2 CHEBI:87820 HMS1791E11 NCGC00161300-02 17-PHENYL TRINOR PROSTAGLANDIN E2 9-Oxo-11.alpha.,15S-dihydroxy-17-phenyl-18,19,20-trinor-prosta-5Z,13E-dien-1-oic acid BDBM82094 D0X2MQ HMS3648J13 SCHEMBL3367843 (Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxy-5-phenylpent-1-enyl]-5-oxocyclopentyl]hept-5-enoic acid 17-phenyl-omega-trinor PGE2 17-phenyltrinor-prostaglandin E2 [ Show all ]
Inchi Key	FOBVMYJQWZOGGJ-XYRJXBATSA-N
Inchi ID	InChI=1S/C23H30O5/c24-18(13-12-17-8-4-3-5-9-17)14-15-20-19(21(25)16-22(20)26)10-6-1-2-7-11-23(27)28/h1,3-6,8-9,14-15,18-20,22,24,26H,2,7,10-13,16H2,(H,27,28)/b6-1-,15-14+/t18-,19+,20+,22+/m0/s1
PubChem CID	5283068
ChEMBL	N/A
IUPHAR	1912
BindingDB	82094
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	4370.0 nM	PMID6266565	BindingDB

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