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Name | C3a anaphylatoxin chemotactic receptor |
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Species | Homo sapiens (Human) |
Gene | C3AR1 |
Synonym | C3a anaphylatoxin chemotactic receptor C3a receptor C3AR anaphylatoxin C3a receptor complement component 3a receptor 1 [ Show all ] |
Disease | N/A |
Length | 482 |
Amino acid sequence | MASFSAETNSTDLLSQPWNEPPVILSMVILSLTFLLGLPGNGLVLWVAGLKMQRTVNTIWFLHLTLADLLCCLSLPFSLAHLALQGQWPYGRFLCKLIPSIIVLNMFASVFLLTAISLDRCLVVFKPIWCQNHRNVGMACSICGCIWVVAFVMCIPVFVYREIFTTDNHNRCGYKFGLSSSLDYPDFYGDPLENRSLENIVQPPGEMNDRLDPSSFQTNDHPWTVPTVFQPQTFQRPSADSLPRGSARLTSQNLYSNVFKPADVVSPKIPSGFPIEDHETSPLDNSDAFLSTHLKLFPSASSNSFYESELPQGFQDYYNLGQFTDDDQVPTPLVAITITRLVVGFLLPSVIMIACYSFIVFRMQRGRFAKSQSKTFRVAVVVVAVFLVCWTPYHIFGVLSLLTDPETPLGKTLMSWDHVCIALASANSCFNPFLYALLGKDFRKKARQSIQGILEAAFSEELTRSTHCPSNNVISERNSTTV |
UniProt | Q16581 |
Protein Data Bank | N/A |
GPCR-HGmod model | Q16581 |
3D structure model | This predicted structure model is from GPCR-EXP Q16581. |
BioLiP | N/A |
Therapeutic Target Database | N/A |
ChEMBL | CHEMBL4761 |
IUPHAR | 31 |
DrugBank | N/A |
Name | CHEMBL3342676 |
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Molecular formula | C22H28N4O3S |
IUPAC name | (2S)-5-(diaminomethylideneamino)-2-[[2-(2,2-diphenylethylsulfanyl)acetyl]amino]pentanoic acid |
Molecular weight | 428.551 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 4 |
XlogP | 2.4 |
Synonyms | (2S)-5-(diaminomethylideneamino)-2-[[2-(2,2-diphenylethylsulfanyl)acetyl]amino]pentanoic acid GTPL8384 BDBM50028698 compound 4 [PMID: 25259874] SCHEMBL18442640 [ Show all ] |
Inchi Key | OVJFQPIFXZBDKN-IBGZPJMESA-N |
Inchi ID | InChI=1S/C22H28N4O3S/c23-22(24)25-13-7-12-19(21(28)29)26-20(27)15-30-14-18(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-6,8-11,18-19H,7,12-15H2,(H,26,27)(H,28,29)(H4,23,24,25)/t19-/m0/s1 |
PubChem CID | 91827355 |
ChEMBL | CHEMBL3342676 |
IUPHAR | 8384 |
BindingDB | 50028698 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 0.8 nM | PMID25259874 | BindingDB |
IC50 | 0.8 nM | PMID25259874 | ChEMBL |
IC50 | 7.9 nM | PMID25259874 | BindingDB |
IC50 | 7.943 nM | PMID25259874 | ChEMBL |
IC50 | 8.0 nM | PMID25259874 | BindingDB |
IC50 | 8.0 nM | PMID25259874 | ChEMBL |
IC50 | 794.0 nM | PMID25259874 | BindingDB |
IC50 | 794.33 nM | PMID25259874 | ChEMBL |
IC50 | 1300.0 nM | PMID25259874 | IUPHAR |
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