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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

NameCHEMBL1817749
Molecular formulaC40H61N13O11S2
IUPAC name(2S)-N-[(2S)-4-amino-1-[(2-amino-2-oxoethyl)amino]-1-oxobutan-2-yl]-1-[(4R,7S,10S,13S,16S,19R)-19-amino-7,10-bis(2-amino-2-oxoethyl)-16-benzyl-13-[(2S)-butan-2-yl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]pyrrolidine-2-carboxamide
Molecular weight964.128
Hydrogen bond acceptor15
Hydrogen bond donor12
XlogP-4.8
SynonymsBDBM50350856
Inchi KeyDTMFDVDEGLWDDP-LWHYKBHJSA-N
Inchi IDInChI=1S/C40H61N13O11S2/c1-3-20(2)32-39(63)50-26(16-30(44)55)35(59)49-25(15-29(43)54)36(60)51-27(19-66-65-18-22(42)33(57)48-24(37(61)52-32)14-21-8-5-4-6-9-21)40(64)53-13-7-10-28(53)38(62)47-23(11-12-41)34(58)46-17-31(45)56/h4-6,8-9,20,22-28,32H,3,7,10-19,41-42H2,1-2H3,(H2,43,54)(H2,44,55)(H2,45,56)(H,46,58)(H,47,62)(H,48,57)(H,49,59)(H,50,63)(H,51,60)(H,52,61)/t20-,22-,23-,24-,25-,26-,27-,28-,32-/m0/s1
PubChem CID53362546
ChEMBLCHEMBL1817749
IUPHARN/A
BindingDB50350856
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
EC501.95 nMPMID21688787ChEMBL
EC502.0 nMPMID21688787BindingDB,ChEMBL

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