Ki Summary

Reaction Details

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Target

Calcitonin receptor

Ligand

BDBM50110273

Substrate

n/a

Meas. Tech.

ChEMBL_42740 (CHEMBL654539)

IC50

5.4±n/a nM

Citation

Taylor, JW; Jin, QK; Sbacchi, M; Wang, L; Belfiore, P; Garnier, M; Kazantzis, A; Kapurniotu, A; Zaratin, PF; Scheideler, 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 Chem 45:1108-21 (2002) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Target

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:

MRFLLLNRFTLLLLLLVSPTPVLQAPTNLTDSGLDQEPFLYLVGRKKLLDAQYKCYDRIQQLPPYEGEGPYCNRTWDGWMCWDDTPAGVMSYQHCPDYFPDFDPTEKVSKYCDENGEWFRHPDSNRTWSNYTLCNAFTPDKLHNAYVLYYLALVGHSMSIAALIASMGIFLFFKNLSCQRVTLHKNMFLTYILNSIIIIIHLVEVVPNGDLVRRDPMHIFHHNTYMWTMQWELSPPLPLSAHEGKMDPHDSEVISCKILHFFHQYMMACNYFWMLCEGIYLHTLIVMAVFTEDQRLRWYYLLGWGFPIVPTIIHAITRAVYYNDNCWLSTETHLLYIIHGPVMAALVVNFFFLLNIVRVLVTKMRQTHEAEAYMYLKAVKATMVLVPLLGIQFVVFPWRPSNKVLGKIYDYLMHSLIHFQGFFVATIYCFCNHEVQVTLKRQWAQFKIQWSHRWGRRRRPTNRVVSAPRAVAFAEPGGLPIYICHQEPRNPPVSNNEGEEGTEMIPMNVIQQDSSA

Inhibitor

Name:

BDBM50110273

Synonyms:

CGNLSTCMLGTYTQDFc[DKFHK]FPQTAIGVGAP-amide | CHEMBL2369893

Type:

Small organic molecule

Emp. Form.:

C152H229N39O43S2

Mol. Mass.:

3354.81

SMILES:

CCCC[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](Cc1ccccc1)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]1CC(=O)NCCC[C@H](NC(Cc2c[nH]cn2)C(=O)N[C@@H](Cc2ccccc2)C(=O)[C@H](CCCCN)NC1=O)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: