Reaction Details |
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Target | Adenosine receptor A1/A2a/A2b/A3 |
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Ligand | BDBM50001450 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_31138 (CHEMBL644805) |
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Ki | >30000±n/a nM |
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Citation | Jacobson, KA; Lipkowski, AW; Moody, TW; Padgett, W; Pijl, E; Kirk, KL; Daly, JW Binary drugs: conjugates of purines and a peptide that bind to both adenosine and substance P receptors. J Med Chem30:1529-32 (1987) [PubMed] |
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More Info.: | Get all data from this article, Assay Method |
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Adenosine receptor A1/A2a/A2b/A3 |
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Name: | Adenosine receptor A1/A2a/A2b/A3 |
Synonyms: | Adenosine receptor |
Type: | n/a |
Mol. Mass.: | n/a |
Description: | ASSAY_ID of ChEMBL is 194205 |
Components: | This complex has 4 components. |
Component 1 |
Name: | Adenosine receptor A2a |
Synonyms: | AA2AR_RAT | ADENOSINE A2a | Adenosine A2 receptor | Adenosine A2a receptor (A2a) | Adenosine Receptors A2a (A2a) | Adenosine receptor A2a and A3 | Adenosine receptors A2a | Adora2a | Rat striatal adenosine A2a receptor |
Type: | G Protein-Coupled Receptor (GPCR) |
Mol. Mass.: | 45015.65 |
Organism: | Rattus norvegicus (rat) |
Description: | Rat A2A receptors expressed in CHO cells. |
Residue: | 410 |
Sequence: | MGSSVYITVELAIAVLAILGNVLVCWAVWINSNLQNVTNFFVVSLAAADIAVGVLAIPFA
ITISTGFCAACHGCLFFACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGVRAKG
IIAICWVLSFAIGLTPMLGWNNCSQKDGNSTKTCGEGRVTCLFEDVVPMNYMVYYNFFAF
VLLPLLLMLAIYLRIFLAARRQLKQMESQPLPGERTRSTLQKEVHAAKSLAIIVGLFALC
WLPLHIINCFTFFCSTCRHAPPWLMYLAIILSHSNSVVNPFIYAYRIREFRQTFRKIIRT
HVLRRQEPFQAGGSSAWALAAHSTEGEQVSLRLNGHPLGVWANGSATHSGRRPNGYTLGL
GGGGSAQGSPRDVELPTQERQEGQEHPGLRGHLVQARVGASSWSSEFAPS
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Component 2 |
Name: | Adenosine receptor A3 |
Synonyms: | AA3R_RAT | Adenosine A3 receptor | Adenosine receptor A2a and A3 | Adora3 |
Type: | PROTEIN |
Mol. Mass.: | 36643.73 |
Organism: | Rattus norvegicus |
Description: | ChEMBL_479910 |
Residue: | 320 |
Sequence: | MKANNTTTSALWLQITYITMEAAIGLCAVVGNMLVIWVVKLNRTLRTTTFYFIVSLALAD
IAVGVLVIPLAIAVSLEVQMHFYACLFMSCVLLVFTHASIMSLLAIAVDRYLRVKLTVRY
RTVTTQRRIWLFLGLCWLVSFLVGLTPMFGWNRKVTLELSQNSSTLSCHFRSVVGLDYMV
FFSFITWILIPLVVMCIIYLDIFYIIRNKLSQNLTGFRETRAFYGREFKTAKSLFLVLFL
FALCWLPLSIINFVSYFNVKIPEIAMCLGILLSHANSMMNPIVYACKIKKFKETYFVILR
ACRLCQTSDSLDSNLEQTTE
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Component 3 |
Name: | Adenosine receptor A1 |
Synonyms: | AA1R_RAT | ADENOSINE A1 | ADENOSINE A1 high | ADENOSINE A1 low | Adenosine A1 receptor (A1) | Adenosine receptor | Adenosine receptors A1 | Adora1 |
Type: | Protein |
Mol. Mass.: | 36704.13 |
Organism: | Rattus norvegicus (rat) |
Description: | n/a |
Residue: | 326 |
Sequence: | MPPYISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGA
LVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKTVVT
QRRAAVAIAGCWILSLVVGLTPMFGWNNLSVVEQDWRANGSVGEPVIKCEFEKVISMEYM
VYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALIL
FLFALSWLPLHILNCITLFCPTCQKPSILIYIAIFLTHGNSAMNPIVYAFRIHKFRVTFL
KIWNDHFRCQPKPPIDEDLPEEKAED
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Component 4 |
Name: | Adenosine receptor A2b |
Synonyms: | AA2BR_RAT | Adenosine receptor | Adora2b |
Type: | PROTEIN |
Mol. Mass.: | 36378.84 |
Organism: | Rattus norvegicus |
Description: | ChEMBL_32934 |
Residue: | 332 |
Sequence: | MQLETQDALYVALELVIAALAVAGNVLVCAAVGASSALQTPTNYFLVSLATADVAVGLFA
IPFAITISLGFCTDFHSCLFLACFVLVLTQSSIFSLLAVAVDRYLAIRVPLRYKGLVTGT
RARGIIAVLWVLAFGIGLTPFLGWNSKDRATSNCTEPGDGITNKSCCPVKCLFENVVPMS
YMVYFNFFGCVLPPLLIMMVIYIKIFMVACKQLQHMELMEHSRTTLQREIHAAKSLAMIV
GIFALCWLPVHAINCITLFHPALAKDKPKWVMNVAILLSHANSVVNPIVYAYRNRDFRYS
FHRIISRYVLCQTDTKGGSGQAGGQSTFSLSL
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BDBM50001450 |
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n/a |
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Name | BDBM50001450 |
Synonyms: | (SP)Arg-Pro-Lys-Pro-Gln-Gln-Phe-Phe-Gly-Leu-Met-NH2 | Arg-Pro-Lys-Pro-Gln-Gln-Phe-Phe-Gly-Leu-Met NH2 | Arg-Pro-Lys-Pro-Gln-Gln-Phe-Phe-Gly-Leu-Met-NH2 | Arg-Pro-Lys-Pro-Gln-Gln-Phe-Phe-Gly-Leu-Met-NH2(Substance P) | Arg-Pro-Lys-Pro-Gln-Gln-Phe-Phe-Gly-Leu-Met-NH2.(Substance P) | Arg-Pro-Lys-Pro-Gln-Gln-Phe-Phe-Gly-Leu-Met-amine | ArgProLysProGlnGlnPhePheGlyLeuMet | CHEMBL235363 | H-Arg-Pro-Lys-Pro-Gln-Gln-Phe-D-Phe-Gly-Leu-Met-NH2 | H-Arg-Pro-Lys-Pro-Gln-Gln-Phe-Phe-Gly-Leu-Met-NH2(Substance P) | Substance P | Substance P (Arg-Pro-Lys-Pro-Gln-Gln-Phe-Phe-Gly-Leu-MetNH2) | Substance P analogue | tachykinin substance P (SP) |
Type | Small organic molecule |
Emp. Form. | C63H98N18O13S |
Mol. Mass. | 1347.63 |
SMILES | [#6]-[#16]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#7])=O |r| |
Structure |
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