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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

NameCHEMBL266264
Molecular formulaC61H80N20O13
IUPAC name(2S)-N-[(2S)-4-amino-1-[[(2S)-1-[(2S)-2-[[(2S)-1-[[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]-2-[[(2S)-2-[[(2S)-2-[(4-azidobenzoyl)-methylamino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-phenylpropanoyl]amino]pentanediamide
Molecular weight1301.44
Hydrogen bond acceptor17
Hydrogen bond donor15
XlogP-0.8
SynonymsBDBM50038600
4-N3-C6H4CO-D-Tyr(Me)-Phe-Gln-Asn-Arg-Pro-Arg-Tyr-NH2
Inchi KeyARYMBKMCVZHZTE-VTWSTLNFSA-N
Inchi IDInChI=1S/C61H80N20O13/c1-80(58(93)37-17-19-38(20-18-37)78-79-69)48(32-36-15-23-40(83)24-16-36)57(92)77-45(31-34-8-3-2-4-9-34)54(89)72-42(25-26-49(62)84)53(88)76-46(33-50(63)85)55(90)74-43(11-6-28-71-61(67)68)59(94)81-29-7-12-47(81)56(91)73-41(10-5-27-70-60(65)66)52(87)75-44(51(64)86)30-35-13-21-39(82)22-14-35/h2-4,8-9,13-24,41-48,82-83H,5-7,10-12,25-33H2,1H3,(H2,62,84)(H2,63,85)(H2,64,86)(H,72,89)(H,73,91)(H,74,90)(H,75,87)(H,76,88)(H,77,92)(H4,65,66,70)(H4,67,68,71)/t41-,42-,43-,44-,45-,46-,47-,48-/m0/s1
PubChem CID44297506
ChEMBLCHEMBL266264
IUPHARN/A
BindingDB50038600
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
Ki20.0 nMPMID8021923BindingDB,ChEMBL

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