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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

Name9-Cyclopropyl Rhodopsin
Molecular formulaC22H30O
IUPAC name(2E,4Z,6E,8E)-7-cyclopropyl-3-methyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenal
Molecular weight310.481
Hydrogen bond acceptor1
Hydrogen bond donor0
XlogP6.8
SynonymsCHEMBL1765579
(2E,4Z,6E,8E)-3-Methyl-7-cyclopropyl-9-(2,6,6-trimethyl-1-cyclohexenyl)-2,4,6,8-nonatetraenal
Inchi KeyBBWLSVCIBPPDQY-QQKIIDFWSA-N
Inchi IDInChI=1S/C22H30O/c1-17(14-16-23)7-5-9-19(20-10-11-20)12-13-21-18(2)8-6-15-22(21,3)4/h5,7,9,12-14,16,20H,6,8,10-11,15H2,1-4H3/b7-5-,13-12+,17-14+,19-9-
PubChem CID52937175
ChEMBLCHEMBL1765579
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
Activity83.0 %PMID21309593ChEMBL

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