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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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GPCR

Name	Proteinase-activated receptor 1
Species	Rattus norvegicus (Rat)
Gene	F2r
Synonym	coagulation factor II (thrombin) receptor PAR-1 PAR1 protease-activated receptor 1 Thrombin receptor
Disease	N/A for non-human GPCRs
Length	432
Amino acid sequence	MGPRRLLLVAVGLSLCGPLLSSRVPMRQPESERMYATPYATPNPRSFFLRNPSEDTFEQFPLGDEEEKNESIPLEGRAVYLNKSRFPPMPPPPFISEDASGYLTSPWLTLFIPSVYTFVFIVSLPLNILAIAVFVFRMKVKKPAVVYMLHLAMADVLFVSVLPFKISYYFSGTDWQFGSGMCRFATAACYCNMYASIMLMTVISIDRFLAVVYPIQSLSWRTLGRANFTCVVIWVMAIMGVVPLLLKEQTTQVPGLNITTCHDVLNETLLHGFYSYYFSAFSAIFFLVPLIISTVCYTSIIRCLSSSAVANRSKKSRALFLSAAVFCIFIVCFGPTNVLLIVHYLLLSDSPGTETAYFAYLLCVCVTSVASCIDPLIYYYASSECQKHLYSILCCRESSDSNSCNSTGQLMPSKMDTCSSHLNNSIYKKLLA
UniProt	P26824
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	CHEMBL6041
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	CHEMBL7610
Molecular formula	C44H51Cl2N9O4
IUPAC name	(2S)-N-benzyl-5-(diaminomethylideneamino)-2-[[(2S)-2-[[1-[(2,6-dichlorophenyl)methyl]-3-(pyrrolidin-1-ylmethyl)indol-6-yl]carbamoylamino]-3-(4-methoxyphenyl)propanoyl]amino]pentanamide
Molecular weight	840.851
Hydrogen bond acceptor	6
Hydrogen bond donor	6
XlogP	5.5
Synonyms	(S)-2-[(S)-2-{3-[1-(2,6-Dichloro-benzyl)-3-pyrrolidin-1-ylmethyl-1H-indol-6-yl]-ureido}-3-(4-methoxy-phenyl)-propionylamino]-5-guanidino-pentanoic acid benzylamide 1-(1-(2,6-dichlorobenzyl)-3-(pyrrolidin-1-ylmethyl)-1H-indol-6-yl)-3-((S)-1-((S)-1-(benzylamino)-5-guanidino-1-oxopentan-2-ylamino)-3-(4-methoxyphenyl)-1-oxopropan-2-yl)urea BDBM50098211 RWJ-54003 2-[2-{3-[1-(2,6-Dichloro-benzyl)-3-pyrrolidin-1-ylmethyl-1H-indol-6-yl]-ureido}-3-(4-methoxy-phenyl)-propionylamino]-5-guanidino-pentanoic acid benzylamide
Inchi Key	BCXNFSKGOXTNLM-YDAXCOIMSA-N
Inchi ID	InChI=1S/C44H51Cl2N9O4/c1-59-33-17-14-29(15-18-33)23-39(42(57)52-38(13-8-20-49-43(47)48)41(56)50-25-30-9-3-2-4-10-30)53-44(58)51-32-16-19-34-31(26-54-21-5-6-22-54)27-55(40(34)24-32)28-35-36(45)11-7-12-37(35)46/h2-4,7,9-12,14-19,24,27,38-39H,5-6,8,13,20-23,25-26,28H2,1H3,(H,50,56)(H,52,57)(H4,47,48,49)(H2,51,53,58)/t38-,39-/m0/s1
PubChem CID	10819322
ChEMBL	CHEMBL7610
IUPHAR	N/A
BindingDB	50098211
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 5 hydrogen bond donor. This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
Activity	94.0 dyn/mg	PMID18477511	ChEMBL

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