Reaction Details Report a problem with these data
Target
Vasoactive intestinal polypeptide receptor 1
Ligand
BDBM50498951
Substrate
n/a
Meas. Tech.
ChEMBL_1538039 (CHEMBL3738745)
IC50
9.3±n/a nM
Citation
 Doan, ND; Poujol de Molliens, M; Létourneau, M; Fournier, A; Chatenet, D Optimization of on-resin palladium-catalyzed Sonogashira cross-coupling reaction for peptides and its use in a structure-activity relationship study of a class B GPCR ligand. Eur J Med Chem 104:106-14 (2015) [PubMed]  Article 
Target
Name:
Vasoactive intestinal polypeptide receptor 1
Synonyms:
VIP 1 | VIPR1 | VIPR1_HUMAN | Vasoactive intestinal polypeptide receptor 1
Type:
Enzyme Catalytic Domain
Mol. Mass.:
51557.18
Organism:
Homo sapiens (Human)
Description:
VIP 1 VIPR1 0::P32241
Residue:
457
Sequence:
MRPPSPLPARWLCVLAGALAWALGPAGGQAARLQEECDYVQMIEVQHKQCLEEAQLENETIGCSKMWDNLTCWPATPRGQVVVLACPLIFKLFSSIQGRNVSRSCTDEGWTHLEPGPYPIACGLDDKAASLDEQQTMFYGSVKTGYTIGYGLSLATLLVATAILSLFRKLHCTRNYIHMHLFISFILRAAAVFIKDLALFDSGESDQCSEGSVGCKAAMVFFQYCVMANFFWLLVEGLYLYTLLAVSFFSERKYFWGYILIGWGVPSTFTMVWTIARIHFEDYGCWDTINSSLWWIIKGPILTSILVNFILFICIIRILLQKLRPPDIRKSDSSPYSRLARSTLLLIPLFGVHYIMFAFFPDNFKPEVKMVFELVVGSFQGFVVAILYCFLNGEVQAELRRKWRRWHLQGVLGWNPKYRHPSGGSNGATCSTQVSMLTRVSPGARRSSSFQAEVSLV
  
Inhibitor
Name:
BDBM50498951
Synonyms:
CHEMBL3736134
Type:
Small organic molecule
Emp. Form.:
C150H227FN40O39S
Mol. Mass.:
3265.715
SMILES:
CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(cc1)C#Cc1ccc(F)cc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O |r|
Structure:
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