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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

NameCHEMBL2372414
Molecular formulaC57H76N14O11S2
IUPAC name(2S)-N-[(2S)-6-amino-1-[[(2R)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]-1-[(10R,13S,16S,19S,22S)-13-(2-amino-2-oxoethyl)-22-[(4-azidophenyl)methyl]-19-benzyl-12,15,18,21,24-pentaoxo-16-propan-2-yl-7,8-dithia-11,14,17,20,23-pentazaspiro[4.19]tetracosane-10-carbonyl]pyrrolidine-2-carboxamide
Molecular weight1197.44
Hydrogen bond acceptor16
Hydrogen bond donor11
XlogP3.4
SynonymsBDBM50008096
cyclo(Ppa-Phe(N3)-Phe-Val-Asn-Cys)-Pro-Lys-D-Tyr-NH2
Inchi KeyFBOAXWIBFYZMMM-XTQOKXPISA-N
Inchi IDInChI=1S/C57H76N14O11S2/c1-33(2)47-54(80)65-43(30-46(59)73)51(77)66-44(55(81)71-26-10-14-45(71)53(79)62-39(13-6-9-25-58)49(75)63-40(48(60)74)27-36-17-21-38(72)22-18-36)31-83-84-32-57(23-7-8-24-57)56(82)67-42(29-35-15-19-37(20-16-35)69-70-61)50(76)64-41(52(78)68-47)28-34-11-4-3-5-12-34/h3-5,11-12,15-22,33,39-45,47,72H,6-10,13-14,23-32,58H2,1-2H3,(H2,59,73)(H2,60,74)(H,62,79)(H,63,75)(H,64,76)(H,65,80)(H,66,77)(H,67,82)(H,68,78)/t39-,40+,41-,42-,43-,44-,45-,47-/m0/s1
PubChem CID73353249
ChEMBLCHEMBL2372414
IUPHARN/A
BindingDB50008096
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
Kd35.0 nMPMID1732523BindingDB
Kd35.48 nMPMID1732523ChEMBL
Kd35.5 nMPMID1732523ChEMBL
Kd36.0 nMPMID1732523BindingDB
RA2.0 %PMID1732523ChEMBL

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