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GPCR

NameVasopressin V1a receptor
SpeciesRattus norvegicus (Rat)
GeneAvpr1a
SynonymAVPR
AVPR V1a
AVPR1
antidiuretic hormone receptor 1a
V1A receptor
[ Show all ]
DiseaseN/A for non-human GPCRs
Length424
Amino acid sequenceMSFPRGSQDRSVGNSSPWWPLTTEGSNGSQEAARLGEGDSPLGDVRNEELAKLEIAVLAVIFVVAVLGNSSVLLALHRTPRKTSRMHLFIRHLSLADLAVAFFQVLPQLCWDITYRFRGPDWLCRVVKHLQVFAMFASAYMLVVMTADRYIAVCHPLKTLQQPARRSRLMIATSWVLSFILSTPQYFIFSVIEIEVNNGTKTQDCWATFIQPWGTRAYVTWMTSGVFVAPVVVLGTCYGFICYHIWRNIRGKTASSRHSKGDKGSGEAVGPFHKGLLVTPCVSSVKSISRAKIRTVKMTFVIVSAYILCWAPFFIVQMWSVWDENFIWTDSENPSITITALLASLNSCCNPWIYMFFSGHLLQDCVQSFPCCHSMAQKFAKDDSDSMSRRQTSYSNNRSPTNSTGMWKDSPKSSKSIRFIPVST
UniProtP30560
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL2868
IUPHAR366
DrugBankN/A

Ligand

NameCHEMBL553710
Molecular formulaC51H73N13O11S2
IUPAC name(2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-[(10R,13S,16S,19S,22S)-13-(2-amino-2-oxoethyl)-19-benzyl-22-[(4-hydroxyphenyl)methyl]-12,15,18,21,24-pentaoxo-16-propan-2-yl-7,8-dithia-11,14,17,20,23-pentazaspiro[5.19]pentacosane-10-carbonyl]pyrrolidine-2-carboxamide
Molecular weight1108.34
Hydrogen bond acceptor14
Hydrogen bond donor12
XlogP-0.3
SynonymsN/A
Inchi KeyFTPKAQCWQHOBMR-GPHUSYHNSA-N
Inchi IDInChI=1S/C51H73N13O11S2/c1-29(2)42-48(74)61-36(25-39(52)66)45(71)62-37(49(75)64-22-10-14-38(64)47(73)59-33(13-9-21-56-50(54)55)43(69)57-27-40(53)67)28-76-77-51(19-7-4-8-20-51)26-41(68)58-34(24-31-15-17-32(65)18-16-31)44(70)60-35(46(72)63-42)23-30-11-5-3-6-12-30/h3,5-6,11-12,15-18,29,33-38,42,65H,4,7-10,13-14,19-28H2,1-2H3,(H2,52,66)(H2,53,67)(H,57,69)(H,58,68)(H,59,73)(H,60,70)(H,61,74)(H,62,71)(H,63,72)(H4,54,55,56)/t33-,34-,35-,36-,37-,38-,42-/m0/s1
PubChem CID45267363
ChEMBLCHEMBL553710
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
Kd4.467 nMPMID19418631ChEMBL

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