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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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GPCR

Name	Gastrin-releasing peptide receptor
Species	Homo sapiens (Human)
Gene	GRPR
Synonym	GRP-R GRP-preferring bombesin receptor gastrin-releasing peptide receptor BB2 receptor BB2
Disease	Solid tumours Breast cancer Cancer Irritable bowel syndrome
Length	384
Amino acid sequence	MALNDCFLLNLEVDHFMHCNISSHSADLPVNDDWSHPGILYVIPAVYGVIILIGLIGNITLIKIFCTVKSMRNVPNLFISSLALGDLLLLITCAPVDASRYLADRWLFGRIGCKLIPFIQLTSVGVSVFTLTALSADRYKAIVRPMDIQASHALMKICLKAAFIWIISMLLAIPEAVFSDLHPFHEESTNQTFISCAPYPHSNELHPKIHSMASFLVFYVIPLSIISVYYYFIAKNLIQSAYNLPVEGNIHVKKQIESRKRLAKTVLVFVGLFAFCWLPNHVIYLYRSYHYSEVDTSMLHFVTSICARLLAFTNSCVNPFALYLLSKSFRKQFNTQLLCCQPGLIIRSHSTGRSTTCMTSLKSTNPSVATFSLINGNICHERYV
UniProt	P30550
Protein Data Bank	N/A
GPCR-HGmod model	P30550
3D structure model	This predicted structure model is from GPCR-EXP P30550.
BioLiP	N/A
Therapeutic Target Database	T99816
ChEMBL	CHEMBL4959
IUPHAR	39
DrugBank	N/A

Ligand

Name	Surinabant
Molecular formula	C23H23BrCl2N4O
IUPAC name	5-(4-bromophenyl)-1-(2,4-dichlorophenyl)-4-ethyl-N-piperidin-1-ylpyrazole-3-carboxamide
Molecular weight	522.268
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	7.0
Synonyms	DSSTox_GSID_47357 SCHEMBL675894 UNII-SF8R9VCB0X 1H-Pyrazole-3-carboxamide, 5-(4-bromophenyl)-1-(2,4-dichlorophenyl)-4-ethyl-N-1-piperidinyl- BRD-K09557221-001-01-6 FT-0766481 SR-147778 5-(4-Bromophenyl)-1-(2,4-dichlorophenyl)-4-ethyl-N-(1-piperidinyl)-1H-pyrazole-3-carboxamide DB13070 NCGC00247959-01 Surinabant [INN] CAS-288104-79-0 DSSTox_RID_82293 SF8R9VCB0X ZINC1549068 288104-79-0 CHEMBL189676 GTPL9233 SR147778 5-(4-bromophenyl)-1-(2,4-dichlorophenyl)-4-ethyl-N-piperidin-1-ylpyrazole-3-carboxamide DSSTox_CID_27357 NCGC00254070-01 Tox21_300239 BDBM50171290 CHEBI:125484 DTXSID2047357 SR 147778 5-(4-Bromo-phenyl)-1-(2,4-dichloro-phenyl)-4-ethyl-1H-pyrazole-3-carboxylic acid piperidin-1-ylamide D0W3GL LS-193786 [ Show all ]
Inchi Key	HMXDWDSNPRNUKI-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H23BrCl2N4O/c1-2-18-21(23(31)28-29-12-4-3-5-13-29)27-30(20-11-10-17(25)14-19(20)26)22(18)15-6-8-16(24)9-7-15/h6-11,14H,2-5,12-13H2,1H3,(H,28,31)
PubChem CID	9849616
ChEMBL	CHEMBL189676
IUPHAR	9233
BindingDB	50171290
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	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
Ki	1000.0 nM	PMID15131245	BindingDB

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