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GPCR

NameRhodopsin
SpeciesBos taurus (Bovine)
GeneRHO
SynonymN/A
DiseaseN/A for non-human GPCRs
Length348
Amino acid sequenceMNGTEGPNFYVPFSNKTGVVRSPFEAPQYYLAEPWQFSMLAAYMFLLIMLGFPINFLTLYVTVQHKKLRTPLNYILLNLAVADLFMVFGGFTTTLYTSLHGYFVFGPTGCNLEGFFATLGGEIALWSLVVLAIERYVVVCKPMSNFRFGENHAIMGVAFTWVMALACAAPPLVGWSRYIPEGMQCSCGIDYYTPHEETNNESFVIYMFVVHFIIPLIVIFFCYGQLVFTVKEAAAQQQESATTQKAEKEVTRMVIIMVIAFLICWLPYAGVAFYIFTHQGSDFGPIFMTIPAFFAKTSAVYNPVIYIMMNKQFRNCMVTTLCCGKNPLGDDEASTTVSKTETSQVAPA
UniProtP02699
Protein Data Bank2i35, 2j4y, 2ped, 3c9l, 3c9m, 2hpy, 2g87, 1u19, 1ln6, 1l9h, 1jfp, 1hzx, 1gzm, 1f88, 2x72, 3dqb, 3oax, 3pqr, 6fkd, 6fkc, 6fkb, 6fka, 6fk9, 6fk8, 6fk7, 6fk6, 5wkt, 5te5, 5en0, 5dys, 4x1h, 4pxf, 4j4q, 4a4m, 3pxo, 6fuf
GPCR-HGmod modelN/A
3D structure modelThis structure is from PDB ID 2i35.
BioLiPBL0058001,BL0058005, BL0144059,BL0144060,BL0144061,, BL0144063, BL0149211, BL0186942,BL0186949, BL0186943,BL0186944,BL0186945,, BL0186947,BL0186953, BL0186948,BL0186954, BL0193496, BL0193497, BL0144058, BL0144057, BL0125584, BL0091202,BL0091203,BL0091204,, BL0091206,BL0091210, BL0095323,BL0095324,BL0095325,, BL0095326,BL0095330, BL0096347, BL0099220,BL0099221, BL0107380,BL0107381,BL0107382,, BL0107384,BL0107388, BL0125583, BL0193498, BL0194274, BL0219382, BL0398941, BL0409985, BL0409986, BL0409987, BL0409988, BL0409989, BL0409990, BL0409991, BL0409992, BL0372701, BL0354047, BL0354046, BL0219383, BL0259697, BL0259698,BL0259699,BL0259700,, BL0259702, BL0291136, BL0291137, BL0329157, BL0329158,BL0329159, BL0354035, BL0428638, BL0057997,BL0057998,BL0057999,, BL0032596, BL0398940, BL0012775,BL0012777, BL0012776,BL0012778, BL0018454,BL0018461, BL0018455,BL0018456,BL0018457,, BL0018459,BL0018467, BL0021853,BL0021854,BL0021855,, BL0021857,BL0021861, BL0025799, BL0031623,BL0031624,BL0031625,, BL0031627,BL0031631
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL5739
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL1765586
Molecular formulaC22H32O
IUPAC name(2E,4E,6Z,8E)-7-methyl-3-propan-2-yl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenal
Molecular weight312.497
Hydrogen bond acceptor1
Hydrogen bond donor0
XlogP7.0
Synonyms(2E,4E,6Z,8E)-3-Isopropyl-7-methyl-9-(2,6,6-trimethyl-1-cyclohexenyl)-2,4,6,8-nonatetraenal
Inchi KeyCVPWPPJZXQFTDS-QTGBNZISSA-N
Inchi IDInChI=1S/C22H32O/c1-17(2)20(14-16-23)11-7-9-18(3)12-13-21-19(4)10-8-15-22(21,5)6/h7,9,11-14,16-17H,8,10,15H2,1-6H3/b11-7+,13-12+,18-9-,20-14-
PubChem CID52937278
ChEMBLCHEMBL1765586
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
Activity139.0 %PMID21309593ChEMBL

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