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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	cloprostenol
Molecular formula	C22H29ClO6
IUPAC name	(Z)-7-[(1R,2R,3R,5S)-2-[(E,3R)-4-(3-chlorophenoxy)-3-hydroxybut-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid
Molecular weight	424.918
Hydrogen bond acceptor	6
Hydrogen bond donor	4
XlogP	2.7
Synonyms	BDBM50085910 Ciosin D0O9ES Estrumat ICI 80996 Planate X2624 (Z)-7-[(1R,2R,3R,5S)-2-[(E,3R)-4-(3-chlorophenoxy)-3-hydroxybut-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid 5-Heptenoic acid, 7-((1R,2R,3R,5S)-2-((1E,3R)-4-(3-chlorophenoxy)-3-hydroxy-1-buten-1-yl)-3,5-dihydroxycyclopentyl)-, (5Z)- 55028-72-3 (mono-hydrochloride salt) BRD-K17850764-236-08-5 Cloprostenol, (+)- DTXSID7048372 HMS1791O21 NCGC00161343-01 SCHEMBL123595 (+-)-(Z)-7-((1R,2R,3R,5S)-2-((E)-(3R)-4-(3-Chlorophenoxy-3-hydroxy-1-butenyl)-3,5-dihydroxycyclopentyl)-5-heptensaeure 16-(m-Chlorophenoxy)-17,18,19,20-tetranorprostaglandin F2alpha 5-Heptenoic acid, 7-(2-(4-(3-chlorophenoxy)-3-hydroxy-1-butenyl)-3,5-dihydroxycyclopentyl)-, (1-alpha-(Z),2-beta-(1E,3R),3-alpha,5-alpha)- (+-)- AC-24773 CS-7779 Estrophan HMS3648H06 Oestrophan UNII-4208238832 component VJGGHXVGBSZVMZ-QIZQQNKQSA-N (Z)-7-((1R,2R,3R,5S)-2-((R,E)-4-(3-Chlorophenoxy)-3-hydroxybut-1-en-1-yl)-3,5-dihydroxycyclopentyl)hept-5-enoic acid 276C210 53529-41-2 AKOS015964975 BRD-K17850764-001-02-6 Dalmaprost D Estrumate IDI1_034049 R-Cloprostenol ZINC4536236 (Z)-7-{(1R,2R,3R,5S)-2-[(E)-(R)-4-(3-Chloro-phenoxy)-3-hydroxy-but-1-enyl]-3,5-dihydroxy-cyclopentyl}-hept-5-enoic acid 5-Heptenoic acid, 7-((1R,2R,3R,5S)-2-((1E,3R)-4-(3-chlorophenoxy)-3-hydroxy-1-butenyl)-3,5-dihydroxycyclopentyl)-, (5Z)- 7-{2-[4-(3-Chloro-phenoxy)-3-hydroxy-but-1-enyl]-3,5-dihydroxy-cyclopentyl}-hept-5-enoic acid BSPBio_001579 Cloprostenolum EINECS 255-028-8 HMS1989O21 NCGC00161343-02 SR-01000946503 (+-)-Cloprostenol AC-6104 CHEMBL37853 D-Cloprostenol Estrophane HY-107381 Oestrophane UNII-52EJR3Y9IN (Z)-7-[(1R,2R,3R,5S)-2-[(E,3R)-4-(3-chlorophenoxy)-3-hydroxy-but-1-enyl]-3,5-dihydroxy-cyclopentyl]hept-5-enoic acid 40665-92-7 54276-21-0 AN-10393 BRD-K17850764-236-03-6 Cloprostenol [INN:BAN] Dalmazin GTPL1894 MolPort-005-940-400 Racemic cloprostenol (+)-Cloprostenol 100786-10-5 5-Heptenoic acid, 7-((1R,2R,3R,5S)-2-((1E,3R)-4-(3-chlorophenoxy)-3-hydroxy-1-butenyl)-3,5-dihydroxycyclopentyl)-, (5Z)-rel- 87347-50-0 C22H29ClO6 Cloprostenolum [INN-Latin] Estrofan HMS3402O21 NCGC00161343-03 SR-01000946503-1 (5Z)-rel-7-[(1R,2R,3R,5S)-2-[(1E,3S)-4-(3-Chlorophenoxy)-3-hydroxy-1-buten-1-yl]-3,5-dihydroxycyclopentyl]-5-heptenoic Acid 206555-98-8 52EJR3Y9IN AC1NSJWQ [ Show all ]
Inchi Key	VJGGHXVGBSZVMZ-QIZQQNKQSA-N
Inchi ID	InChI=1S/C22H29ClO6/c23-15-6-5-7-17(12-15)29-14-16(24)10-11-19-18(20(25)13-21(19)26)8-3-1-2-4-9-22(27)28/h1,3,5-7,10-12,16,18-21,24-26H,2,4,8-9,13-14H2,(H,27,28)/b3-1-,11-10+/t16-,18-,19-,20+,21-/m1/s1
PubChem CID	5311053
ChEMBL	CHEMBL37853
IUPHAR	1894
BindingDB	50085910
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	<10000.0 nM	PMID10715159	BindingDB,ChEMBL
Ki	<10000.0 nM	PMID10634944	BindingDB

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