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

NameVasopressin V1a receptor
SpeciesMus musculus (Mouse)
GeneAvpr1a
SynonymAntidiuretic hormone receptor 1a
AVPR
AVPR V1a
AVPR1
V1A receptor
[ Show all ]
DiseaseN/A for non-human GPCRs
Length423
Amino acid sequenceMSFPRGSHDLPAGNSSPWWPLTTEGANSSREAAGLGEGGSPPGDVRNEELAKLEVTVLAVIFVVAVLGNSSVLLALHRTPRKTSRMHLFIRHLSLADLAVAFFQVLPQLCWDITYRFRGPDWLCRVVKHLQVFAMFASSYMLVVMTADRYIAVCHPLKTLQQPARRSRLMIAASWGLSFVLSIPQYFIFSVIEFEVNNGTKAQDCWATFIPPWGTRAYVTWMTSGVFVVPVIILGTCYGFICYHIWRNVRGKTASRQSKGGKGSGEAAGPFHKGLLVTPCVSSVKSISRAKIRTVKMTFVIVSAYILCWTPFFIVQMWSVWDTNFVWTDSENPSTTITALLASLNSCCNPWIYMFFSGHLLQDCVQSFPCCQSIAQKFAKDDSDSMSRRQTSYSNNRSPTNSTGTWKDSPKSSKSIRFIPVST
UniProtQ62463
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3414410
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL3416880
Molecular formulaC19H17Cl2N3O
IUPAC name(6-chloro-1H-indol-3-yl)-[4-(2-chlorophenyl)piperazin-1-yl]methanone
Molecular weight374.265
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP4.4
SynonymsSCHEMBL612438
DTXSID90581636
923296-45-1
(6-Chloro-1H-indol-3-yl)[4-(2-chlorophenyl)piperazin-1-yl]methanone
Methanone, (6-chloro-1H-indol-3-yl)[4-(2-chlorophenyl)-1-piperazinyl]-
[ Show all ]
Inchi KeyZDUAQXCLICAACJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H17Cl2N3O/c20-13-5-6-14-15(12-22-17(14)11-13)19(25)24-9-7-23(8-10-24)18-4-2-1-3-16(18)21/h1-6,11-12,22H,7-10H2
PubChem CID16063234
ChEMBLCHEMBL3416880
IUPHARN/A
BindingDB50077224
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Experimental Data

ParameterValueReferenceDatabase source
Ki1972.0 nMPMID25654260BindingDB,ChEMBL

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