Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetCalcitonin receptor
LigandBDBM50110267
Substrate/Competitorn/a
Meas. Tech.ChEMBL_42740 (CHEMBL654539)
IC50 79±n/a nM
Citation Taylor, JWJin, QKSbacchi, MWang, LBelfiore, PGarnier, MKazantzis, AKapurniotu, AZaratin, PFScheideler, MA Side-chain lactam-bridge conformational constraints differentiate the activities of salmon and human calcitonins and reveal a new design concept for potent calcitonin analogues. J Med Chem45:1108-21 (2002) [PubMed]
More Info.:Get all data from this article,  Assay Method
 
Calcitonin receptor
Name:Calcitonin receptor
Synonyms:C1A/C1B | CALCR_RAT | CT-R | Calcr
Type:PROTEIN
Mol. Mass.:60302.08
Organism:Rattus norvegicus
Description:ChEMBL_42740
Residue:516
Sequence:
MRFLLLNRFTLLLLLLVSPTPVLQAPTNLTDSGLDQEPFLYLVGRKKLLDAQYKCYDRIQ
QLPPYEGEGPYCNRTWDGWMCWDDTPAGVMSYQHCPDYFPDFDPTEKVSKYCDENGEWFR
HPDSNRTWSNYTLCNAFTPDKLHNAYVLYYLALVGHSMSIAALIASMGIFLFFKNLSCQR
VTLHKNMFLTYILNSIIIIIHLVEVVPNGDLVRRDPMHIFHHNTYMWTMQWELSPPLPLS
AHEGKMDPHDSEVISCKILHFFHQYMMACNYFWMLCEGIYLHTLIVMAVFTEDQRLRWYY
LLGWGFPIVPTIIHAITRAVYYNDNCWLSTETHLLYIIHGPVMAALVVNFFFLLNIVRVL
VTKMRQTHEAEAYMYLKAVKATMVLVPLLGIQFVVFPWRPSNKVLGKIYDYLMHSLIHFQ
GFFVATIYCFCNHEVQVTLKRQWAQFKIQWSHRWGRRRRPTNRVVSAPRAVAFAEPGGLP
IYICHQEPRNPPVSNNEGEEGTEMIPMNVIQQDSSA
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50110267
n/a
NameBDBM50110267
Synonyms:CGNLSTCBLGTYTQDFNKFHZYPQTAIGVGAP-amide | CHEMBL2369897
TypeSmall organic molecule
Emp. Form.C152H231N39O44S2
Mol. Mass.3372.825
SMILESCCCC[C@H](NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@@H](N)CS)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)[C@H](Cc1ccccc1)NC(=O)C(Cc1c[nH]cn1)N[C@@H](CCC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@@H]1C(N)=O
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: