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GPCR

NameVasopressin V2 receptor
SpeciesBos taurus (Bovine)
GeneAVPR2
SynonymAntidiuretic hormone receptor
AVPR V2
Renal-type arginine vasopressin receptor
V2R
DiseaseN/A for non-human GPCRs
Length370
Amino acid sequenceMFMASTTSAVPWHLSQPTPAGNGSEGELLTARDPLLAQAELALLSTVFVAVALSNGLVLGALVRRGRRGRWAPMHVFIGHLCLADLAVALFQVLPQLAWDATDRFRGPDALCRAVKYLQMVGMYASSYMILAMTLDRHRAICRPMLAHRHGGGTHWNRPVLLAWAFSLLFSLPQLFIFAQRDVDGSGVLDCWARFAEPWGLRAYVTWIALMVFVAPALGIAACQVLIFREIHASLGPGPVPRAGGPRRGCRPGSPAEGARVSAAVAKTVKMTLVIVIVYVLCWAPFFLVQLWAAWDPEAPREGPPFVLLMLLASLNSCTNPWIYASFSSSISSELRSLLCCTWRRAPPSPGPQEESCATASSFLAKDTPS
UniProtP48044
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL2344
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL265264
Molecular formulaC49H70N14O12S2
IUPAC name(10S,13S,16S,19S,22S)-13-(2-amino-2-oxoethyl)-N-[2-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]-16-(3-amino-3-oxopropyl)-19-benzyl-22-[(4-hydroxyphenyl)methyl]-N-methyl-12,15,18,21,24-pentaoxo-7,8-dithia-11,14,17,20,23-pentazaspiro[5.19]pentacosane-10-carboxamide
Molecular weight1111.31
Hydrogen bond acceptor15
Hydrogen bond donor13
XlogP-2.9
SynonymsBDBM50030086
[Mca1,Sar7]AVP
Inchi KeyUTJQBVZALNERNH-JVYXSLHOSA-N
Inchi IDInChI=1S/C49H70N14O12S2/c1-63(26-41(69)57-31(11-8-20-55-48(53)54)42(70)56-25-39(52)67)47(75)36-27-76-77-49(18-6-3-7-19-49)24-40(68)58-33(22-29-12-14-30(64)15-13-29)44(72)60-34(21-28-9-4-2-5-10-28)45(73)59-32(16-17-37(50)65)43(71)61-35(23-38(51)66)46(74)62-36/h2,4-5,9-10,12-15,31-36,64H,3,6-8,11,16-27H2,1H3,(H2,50,65)(H2,51,66)(H2,52,67)(H,56,70)(H,57,69)(H,58,68)(H,59,73)(H,60,72)(H,61,71)(H,62,74)(H4,53,54,55)/t31-,32-,33-,34-,35-,36+/m0/s1
PubChem CID44321207
ChEMBLCHEMBL265264
IUPHARN/A
BindingDB50030086
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
Kd240.0 nMPMID7507528BindingDB,ChEMBL

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