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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	Ramatroban
Molecular formula	C21H21FN2O4S
IUPAC name	3-[(3R)-3-[(4-fluorophenyl)sulfonylamino]-1,2,3,4-tetrahydrocarbazol-9-yl]propanoic acid
Molecular weight	416.467
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	2.9
Synonyms	Bay u 3406 BC228169 CS-2956 DSSTox_GSID_46685 HMS3648E21 MolPort-005-943-701 Ramatroban (BAY u3405) (R)-3-(3-(4-fluorophenylsulfonamido)-3,4-dihydro-1H-carbazol-9(2H)-yl)propanoic acid SMR002530322 3-[(R)-3-(4-Fluoro-benzenesulfonylamino)-1,2,3,4-tetrahydro-carbazol-9-yl]-propionic acid X6873 ABP001095 BAY u3405;BAY-u3405 C21H21FN2O4S D0GC5H EN 137774 KS-1310 NCGC00167519-04 Ramatroban, >=98% (HPLC), solid SR-01000946208 [3H]BAY u3405 AJ-45646 AOB5536 Baynas DB13036 GTPL1910 MFCD00887606 PubChem9956 (3R)-3-[[(4-Fluorophenyl)sulfonyl]amino]-1,2,3,4-tetrahydro-9H-carbazole-9-propanoic Acid SC-00487 3-(4-Fluorophenylsulfonamido)-1,2,3,4-tetrahydro-9-carbazole propanoic acid Tox21_112516_1 9H-Carbazole-9-propanoicacid, 3-[[(4-fluorophenyl)sulfonyl]amino]-1,2,3,4-tetrahydro-, (3R)- Bay u-3405 BDBM50161746 CTK0H6708 DSSTox_RID_81819 HY-B0745 NCGC00167519-01 Ramatroban (JAN/INN) (R)-3-[3-(4-Fluorophenylsulphonylamino)-1,2,3,4-tetrahydrocarbazol- 9-yl]propionic acid SR-01000883932 3R-[[(4-Fluorophenyl)sulfonyl]amino]-1,2,3,4-tetrahydro-9H-carbazole-9-propanoic acid ZINC3798772 AC-719 BAY-u 3405 CAS-116649-85-5 D0P8TX EN-137774 LDXDSHIEDAPSSA-OAHLLOKOSA-N NCGC00167519-07 (+)-(3R)-3-(p-Fluorobenzenesulfonamido)-1,2,3,4-tetrahydrocarbazole-9-propionic acid RT-011424 SR-01000946208-1 649F855 [3H]baynas AKOS015966619 Bay u 3405 Baynas (TN) CHEMBL361812 DSSTox_CID_26685 GTPL1911 MLS006010637 (R)-3-(3-(4-fluorophenylsulfonamido)-1,2,3,4-tetrahydrocarbazol-9-yl)propanoic acid SCHEMBL29030 3-[(3R)-3-[(4-fluorophenyl)sulfonylamino]-1,2,3,4-tetrahydrocarbazol-9-yl]propanoic acid UNII-P1ALI72U6C A8X BAY u3405 C-35509 D01128 DTXSID1046685 J-003466 NCGC00167519-02 Ramatroban [INN:BAN] 116649-85-5 SR-01000883932-1 3R-[[(4-FLUOROPHENYL)SULFONYL]AMINO]-1,2,3,4-TETRAHYDRO-9H-CARBAZOLE-9-PROPANOICACID [3H]Bay u 3405 AC1L3XGV AN-1137 Bay-u-3405 CHEBI:32087 FT-0080313 LS-172326 P1ALI72U6C (+)-(3R)-3-[[(4-Fluorophenyl)sulfonyl]amino]-1,2,3,4-tetrahydro-9H-carbazole-9-propanoic acid S-7973 3(r)-[[(4-fluoro-phenyl) sulfonyl]amino]-1,2,3,4-tetrahydro-9h-carbazole-9-propanoic acid Tox21_112516 9H-Carbazole-9-propanoic acid, 3-(((4-fluorophenyl)sulfonyl)amino)-1,2,3,4-tetrahydro-, (R)- [3H]ramatroban [ Show all ]
Inchi Key	LDXDSHIEDAPSSA-OAHLLOKOSA-N
Inchi ID	InChI=1S/C21H21FN2O4S/c22-14-5-8-16(9-6-14)29(27,28)23-15-7-10-20-18(13-15)17-3-1-2-4-19(17)24(20)12-11-21(25)26/h1-6,8-9,15,23H,7,10-13H2,(H,25,26)/t15-/m1/s1
PubChem CID	123879
ChEMBL	CHEMBL361812
IUPHAR	1910, 1911
BindingDB	50161746
DrugBank	DB13036
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	<100000.0 nM	PMID19608418	BindingDB,ChEMBL

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