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

You can:

GPCR

NameLeukotriene B4 receptor 1
SpeciesHomo sapiens (Human)
GeneLTB4R
SynonymBLT1 receptor
BLTR
Chemoattractant receptor-like 1
G-protein coupled receptor 16
GPR16
[ Show all ]
DiseaseInflammatory disease
Inflammatory bowel disease
Human immunodeficiency virus infection
Pancreatic cancer
Psoriasis
[ Show all ]
Length352
Amino acid sequenceMNTTSSAAPPSLGVEFISLLAIILLSVALAVGLPGNSFVVWSILKRMQKRSVTALMVLNLALADLAVLLTAPFFLHFLAQGTWSFGLAGCRLCHYVCGVSMYASVLLITAMSLDRSLAVARPFVSQKLRTKAMARRVLAGIWVLSFLLATPVLAYRTVVPWKTNMSLCFPRYPSEGHRAFHLIFEAVTGFLLPFLAVVASYSDIGRRLQARRFRRSRRTGRLVVLIILTFAAFWLPYHVVNLAEAGRALAGQAAGLGLVGKRLSLARNVLIALAFLSSSVNPVLYACAGGGLLRSAGVGFVAKLLEGTGSEASSTRRGGSLGQTARSGPAALEPGPSESLTASSPLKLNELN
UniProtQ15722
Protein Data BankN/A
GPCR-HGmod modelQ15722
3D structure modelThis predicted structure model is from GPCR-EXP Q15722.
BioLiPN/A
Therapeutic Target DatabaseT59626
ChEMBLCHEMBL3911
IUPHAR267
DrugBankBE0003490

Ligand

NameSC-52569
Molecular formulaC29H39NO7
IUPAC name7-[3-[4-(dimethylcarbamoyl)-3-methoxy-2-propylphenoxy]propoxy]-8-propyl-3,4-dihydro-2H-chromene-2-carboxylic acid
Molecular weight513.631
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP6.0
SynonymsBDBM50284122
D0C2GW
7-[3-(4-Dimethylcarbamoyl-3-methoxy-2-propyl-phenoxy)-propoxy]-8-propyl-chroman-2-carboxylic acid
CHEMBL167350
Inchi KeyDHAATERTHLJWHW-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H39NO7/c1-6-9-20-23(14-11-19-12-15-25(29(32)33)37-26(19)20)35-17-8-18-36-24-16-13-22(28(31)30(3)4)27(34-5)21(24)10-7-2/h11,13-14,16,25H,6-10,12,15,17-18H2,1-5H3,(H,32,33)
PubChem CID44379453
ChEMBLCHEMBL167350
IUPHARN/A
BindingDB50284122
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
IC500.15 nMBioorg. Med. Chem. Lett., (1994) 4:6:811ChEMBL
IC500.15 nMN/ABindingDB

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