Reaction Details Report a problem with these data
Target
Vasoactive intestinal polypeptide receptor 2
Ligand
BDBM50606528
Substrate
n/a
Meas. Tech.
ChEMBL_2260456 (CHEMBL5215467)
IC50
4.5±n/a nM
Citation
 Hu, E; Hong, FT; Aral, J; Long, J; Piper, DE; Poppe, L; Andrews, KL; Hager, T; Davis, C; Li, H; Wong, P; Gavva, N; Shi, L; Zhu, DXD; Lehto, SG; Xu, C; Miranda, LP Discovery of Selective Pituitary Adenylate Cyclase 1 Receptor (PAC1R) Antagonist Peptides Potent in a Maxadilan/PACAP38-Induced Increase in Blood Flow Pharmacodynamic Model. J Med Chem 64:3427-3438 (2021) [PubMed] 
Target
Name:
Vasoactive intestinal polypeptide receptor 2
Synonyms:
VIP 2 | VIP2R | VIPR2 | VIPR2_HUMAN
Type:
Enzyme Catalytic Domain
Mol. Mass.:
49488.30
Organism:
Homo sapiens (Human)
Description:
VIP 2 VIPR2 HUMAN::P41587
Residue:
438
Sequence:
MRTLLPPALLTCWLLAPVNSIHPECRFHLEIQEEETKCAELLRSQTEKHKACSGVWDNITCWRPANVGETVTVPCPKVFSNFYSKAGNISKNCTSDGWSETFPDFVDACGYSDPEDESKITFYILVKAIYTLGYSVSLMSLATGSIILCLFRKLHCTRNYIHLNLFLSFILRAISVLVKDDVLYSSSGTLHCPDQPSSWVGCKLSLVFLQYCIMANFFWLLVEGLYLHTLLVAMLPPRRCFLAYLLIGWGLPTVCIGAWTAARLYLEDTGCWDTNDHSVPWWVIRIPILISIIVNFVLFISIIRILLQKLTSPDVGGNDQSQYKRLAKSTLLLIPLFGVHYMVFAVFPISISSKYQILFELCLGSFQGLVVAVLYCFLNSEVQCELKRKWRSRCPTPSASRDYRVCGSSFSRNGSEGALQFHRGSRAQSFLQTETSVI
  
Inhibitor
Name:
BDBM50606528
Synonyms:
CHEMBL5219662
Type:
Small organic molecule
Emp. Form.:
C187H309N57O47S
Mol. Mass.:
4139.873
SMILES:
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](CCS)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(C)C)C(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(O)=O |r|
Structure:
Search PDB for entries with ligand similarity: