Zhang Lab

University of Michigan

Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only

Online Services

●I-TASSER ●I-TASSER-MTD ●C-I-TASSER ●CR-I-TASSER ●QUARK ●C-QUARK ●LOMETS ●MUSTER ●CEthreader ●SEGMER ●DeepFold ●DeepFoldRNA ●FoldDesign ●COFACTOR ●COACH ●MetaGO ●TripletGO ●IonCom ●FG-MD ●ModRefiner ●REMO ●DEMO ●DEMO-EM ●DMFold ●SPRING ●COTH ●Threpp ●PEPPI ●BSpred ●ANGLOR ●EDock ●BSP-SLIM ●SAXSTER ●FUpred ●ThreaDom ●ThreaDomEx ●EvoDesign ●BindProf ●BindProfX ●SSIPe ●GPCR-I-TASSER ●MAGELLAN ●ResQ ●STRUM ●DAMpred

●TM-score ●TM-align ●US-align ●MM-align ●RNA-align ●NW-align ●LS-align ●EDTSurf ●MVP ●MVP-Fit ●SPICKER ●HAAD ●PSSpred ●3DRobot ●MR-REX ●I-TASSER-MR ●SVMSEQ ●NeBcon ●ResPRE ●TripletRes ●DeepPotential ●WDL-RF ●ATPbind ●DockRMSD ●DeepMSA ●FASPR ●EM-Refiner ●GPU-I-TASSER

●BioLiP ●E. coli ●GLASS ●GPCR-HGmod ●GPCR-RD ●GPCR-EXP ●Tara-3D ●TM-fold ●DECOYS ●POTENTIAL ●RW/RWplus ●EvoEF ●HPSF ●THE-DB ●ADDRESS ●Alpaca-Antibody ●CASP7 ●CASP8 ●CASP9 ●CASP10 ●CASP11 ●CASP12 ●CASP13 ●CASP14

GLASS

You can:

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.
Go back to previous page.

GPCR

Name	Vasoactive intestinal polypeptide receptor 2
Species	Homo sapiens (Human)
Gene	VIPR2
Synonym	VPAC2 VIP-R-2 VIP and PACAP receptor 2 PVR3 Pituitary adenylate cyclase-activating polypeptide type III receptor PACAP-R3 PACAP-R-3 PACAP type III receptor Helodermin-preferring VIP receptor VPAC2 receptor [ Show all ]
Disease	Unspecified Chronic obstructive pulmonary disease Hypertension
Length	438
Amino acid sequence	MRTLLPPALLTCWLLAPVNSIHPECRFHLEIQEEETKCAELLRSQTEKHKACSGVWDNITCWRPANVGETVTVPCPKVFSNFYSKAGNISKNCTSDGWSETFPDFVDACGYSDPEDESKITFYILVKAIYTLGYSVSLMSLATGSIILCLFRKLHCTRNYIHLNLFLSFILRAISVLVKDDVLYSSSGTLHCPDQPSSWVGCKLSLVFLQYCIMANFFWLLVEGLYLHTLLVAMLPPRRCFLAYLLIGWGLPTVCIGAWTAARLYLEDTGCWDTNDHSVPWWVIRIPILISIIVNFVLFISIIRILLQKLTSPDVGGNDQSQYKRLAKSTLLLIPLFGVHYMVFAVFPISISSKYQILFELCLGSFQGLVVAVLYCFLNSEVQCELKRKWRSRCPTPSASRDYRVCGSSFSRNGSEGALQFHRGSRAQSFLQTETSVI
UniProt	P41587
Protein Data Bank	N/A
GPCR-HGmod model	P41587
3D structure model	This predicted structure model is from GPCR-EXP P41587.
BioLiP	N/A
Therapeutic Target Database	T06182
ChEMBL	CHEMBL4532
IUPHAR	372
DrugBank	N/A

Ligand

Name	CHEMBL3936135
Molecular formula	C28H29BrN2O4
IUPAC name	N-[(2S,4R)-4-benzyl-2-hydroxy-5-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-oxopentyl]-3-bromobenzamide
Molecular weight	537.454
Hydrogen bond acceptor	4
Hydrogen bond donor	4
XlogP	3.8
Synonyms	SCHEMBL17038228
Inchi Key	NZSVTVGCXQCUBE-CATZXFIYSA-N
Inchi ID	InChI=1S/C28H29BrN2O4/c29-22-11-6-10-20(14-22)27(34)30-17-23(32)15-21(13-18-7-2-1-3-8-18)28(35)31-26-24-12-5-4-9-19(24)16-25(26)33/h1-12,14,21,23,25-26,32-33H,13,15-17H2,(H,30,34)(H,31,35)/t21-,23+,25-,26+/m1/s1
PubChem CID	118334876
ChEMBL	CHEMBL3936135
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
Inhibition	-3.8 %	None	ChEMBL
Inhibition	5.2 %	None	ChEMBL
Inhibition	6.8 %	None	ChEMBL
Inhibition	17.4 %	None	ChEMBL
Inhibition	18.5 %	None	ChEMBL
Inhibition	20.3 %	None	ChEMBL

zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218